Butanol Details
:
IUPAC Name
butan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
71-36-3
:Description
:Fragrance Type
fruity
Physical and Chemical properties
| PUBCHEM ID | 263 |
| Molecular Weight (g/mol) | 74.1216 |
| Molecular Formula | C4H10O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| IUPAC Name | butan-1-ol |
| Canonical SMILES | CCCCO |
| PUBCHEM IUPAC INCHIKEY | LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | 2 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 0.97 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.49022 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 71-36-3 | ABCA1 | Rattus norvegicus | 1-Butanol results in increased expression of ABCA1 protein | increases^expression | 17478430 |
| 2 | 71-36-3 | AGT | Homo sapiens | 1-Butanol inhibits the reaction [AGT protein results in increased phosphorylation of and results in increased activity of MAPK1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 12890486 |
| 3 | 71-36-3 | AGT | Homo sapiens | 1-Butanol inhibits the reaction [AGT protein results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 12890486 |
| 4 | 71-36-3 | AGT | Rattus norvegicus | 1-Butanol inhibits the reaction [AGT protein results in increased expression of PTGS2 protein] | decreases^reaction|increases^expression | 14613874 |
| 5 | 71-36-3 | AGT | Rattus norvegicus | 1-Butanol inhibits the reaction [AGT protein results in increased phosphorylation of and results in increased activity of EGFR protein] | decreases^reaction|increases^activity|increases^phosphorylation | 15525798 |
| 6 | 71-36-3 | AKR1B8 | Rattus norvegicus | [AKR1B8 protein co-treated with NADP] affects the oxidation of 1-Butanol | affects^cotreatment|affects^oxidation | 18845131 |
| 7 | 71-36-3 | AKT1 | Homo sapiens | 1-Butanol inhibits the reaction [P2RY1 protein results in increased phosphorylation of and results in increased activity of AKT1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 16236484 |
| 8 | 71-36-3 | AKT1 | Rattus norvegicus | 1-Butanol inhibits the reaction [Hydrogen Peroxide results in increased phosphorylation of and results in increased activity of AKT1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 15705590 |
| 9 | 71-36-3 | ALOX5 | Homo sapiens | 1-Butanol inhibits the reaction [Calcimycin results in increased activity of and results in increased localization of ALOX5 protein] | decreases^reaction|increases^activity|increases^localization | 18218859 |
| 10 | 71-36-3 | ALOX5 | Homo sapiens | 1-Butanol inhibits the reaction [Thapsigargin results in increased activity of and results in increased localization of ALOX5 protein] | decreases^reaction|increases^activity|increases^localization | 18218859 |
| 11 | 71-36-3 | ALOX5 | Homo sapiens | 1-oleoyl-2-acetoyl-sn-glycerol inhibits the reaction [1-Butanol inhibits the reaction [Calcimycin results in increased activity of and results in increased localization of ALOX5 protein]] | decreases^reaction|increases^activity|increases^localization | 18218859 |
| 12 | 71-36-3 | ALOX5 | Homo sapiens | 1-oleoyl-2-acetoyl-sn-glycerol inhibits the reaction [1-Butanol inhibits the reaction [Thapsigargin results in increased activity of and results in increased localization of ALOX5 protein]] | decreases^reaction|increases^activity|increases^localization | 18218859 |
| 13 | 71-36-3 | APP | Musculus | [1-Butanol results in decreased activity of PLD1 protein] which affects the localization of APP protein | affects^localization|decreases^activity | 16449385 |
| 14 | 71-36-3 | C5 | Homo sapiens | 1-Butanol inhibits the reaction [C5 protein results in increased activity of RELA protein] | decreases^reaction|increases^activity | 19284563 |
| 15 | 71-36-3 | C5 | Homo sapiens | 1-Butanol inhibits the reaction [C5 protein results in increased activity of SPHK1 protein] | decreases^reaction|increases^activity | 19284563 |
| 16 | 71-36-3 | C5 | Homo sapiens | 1-Butanol inhibits the reaction [C5 protein results in increased phosphorylation of and results in increased activity of MAPK1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 19346296 |
| 17 | 71-36-3 | C5 | Homo sapiens | 1-Butanol inhibits the reaction [C5 protein results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 19346296 |
| 18 | 71-36-3 | CASP3 | Rattus norvegicus | 1-Butanol results in increased cleavage of and results in increased activity of CASP3 protein | increases^activity|increases^cleavage | 22564901 |
| 19 | 71-36-3 | CASP3 | Rattus norvegicus | Y 27632 inhibits the reaction [1-Butanol results in increased activity of and results in increased cleavage of CASP3 protein] | decreases^reaction|increases^activity|increases^cleavage | 22564901 |
| 20 | 71-36-3 | CASP9 | Rattus norvegicus | 1-Butanol results in increased cleavage of and results in increased activity of CASP9 protein | increases^activity|increases^cleavage | 22564901 |
| 21 | 71-36-3 | CASP9 | Rattus norvegicus | Y 27632 inhibits the reaction [1-Butanol results in increased activity of and results in increased cleavage of CASP9 protein] | decreases^reaction|increases^activity|increases^cleavage | 22564901 |
| 22 | 71-36-3 | CAT | Homo sapiens | CAT protein inhibits the reaction [1-Butanol results in increased susceptibility to Hydrogen Peroxide] | decreases^reaction|increases^response to substance | 20417698 |
| 23 | 71-36-3 | CCND1 | Bos taurus | 1-Butanol inhibits the reaction [Serotonin results in increased expression of CCND1 protein] | decreases^reaction|increases^expression | 18621911 |
| 24 | 71-36-3 | CCND1 | Bos taurus | Phosphatidic Acids inhibits the reaction [1-Butanol inhibits the reaction [Serotonin results in increased expression of CCND1 protein]] | decreases^reaction|increases^expression | 18621911 |
| 25 | 71-36-3 | CCND3 | Homo sapiens | 1-Butanol inhibits the reaction [PDGFB protein results in decreased expression of CCND3 protein] | decreases^expression|decreases^reaction | 15919668 |
| 26 | 71-36-3 | CFTR | 1-Butanol results in decreased expression of and results in decreased secretion of CFTR protein | decreases^expression|decreases^secretion | 17936375 | |
| 27 | 71-36-3 | CFTR | Phosphatidic Acids inhibits the reaction [1-Butanol results in decreased expression of and results in decreased secretion of CFTR protein] | decreases^expression|decreases^reaction|decreases^secretion | 17936375 | |
| 28 | 71-36-3 | CHRNA2 | Homo sapiens | 1-Butanol affects the reaction [Acetylcholine promotes the reaction [[CHRNA2 protein binds to CHRNB4 protein] which results in increased transport of Barium]] | affects^binding|affects^reaction|increases^reaction|increases^transport | 11821649 |
| 29 | 71-36-3 | CHRNA4 | Homo sapiens | 1-Butanol affects the reaction [Acetylcholine results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] | affects^binding|affects^reaction|increases^activity | 12604691 |
| 30 | 71-36-3 | CHRNA4 | Homo sapiens | 1-Butanol binds to and results in increased activity of [CHRNA4 protein binds to CHRNB2 protein] | affects^binding|increases^activity | 12604691 |
| 31 | 71-36-3 | CHRNA4 | Homo sapiens | Dihydro-beta-Erythroidine inhibits the reaction [1-Butanol binds to and results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] | affects^binding|decreases^reaction|increases^activity | 12604691 |
| 32 | 71-36-3 | CHRNA4 | Homo sapiens | Mecamylamine inhibits the reaction [1-Butanol binds to and results in increased activity of [CHRNA4 protein binds to CHRNB2 protein]] | affects^binding|decreases^reaction|increases^activity | 12604691 |
| 33 | 71-36-3 | CXCL8 | Homo sapiens | 1-Butanol inhibits the reaction [sphingosine 1-phosphate results in increased expression of CXCL8 mRNA] | decreases^reaction|increases^expression | 12039947 |
| 34 | 71-36-3 | CXCL8 | Homo sapiens | 1-Butanol inhibits the reaction [Tetradecanoylphorbol Acetate results in increased expression of CXCL8 mRNA] | decreases^reaction|increases^expression | 12039947 |
| 35 | 71-36-3 | CYP3A2 | Rattus norvegicus | 1-Butanol promotes the reaction [Toluene results in increased expression of CYP3A2 mRNA] | increases^expression|increases^reaction | 17209515 |
| 36 | 71-36-3 | EGF | Rattus norvegicus | 1-Butanol inhibits the reaction [EGF protein binds to and results in increased degradation of EGFR protein] | affects^binding|decreases^reaction|increases^degradation | 11134345 |
| 37 | 71-36-3 | EGF | Rattus norvegicus | 1-Butanol inhibits the reaction [EGF protein binds to and results in increased localization of EGFR protein] | affects^binding|decreases^reaction|increases^localization | 11134345 |
| 38 | 71-36-3 | FGR | Homo sapiens | 1-Butanol inhibits the reaction [[N-Formylmethionine Leucyl-Phenylalanine co-treated with dihydrocytochalasin B] results in increased activity of FGR protein] | affects^cotreatment|decreases^reaction|increases^activity | 11078731 |
| 39 | 71-36-3 | FOS | Mus musculus | 1-Butanol inhibits the reaction [PDGFB protein results in increased expression of FOS mRNA] | decreases^reaction|increases^expression | 12782152 |
| 40 | 71-36-3 | FOS | Mus musculus | 1-Butanol results in increased expression of FOS mRNA | increases^expression | 12782152 |
| 41 | 71-36-3 | FOS | Rattus norvegicus | 1-Butanol inhibits the reaction [3-(N-phenylamino)-1,2-propanediol 1,2-dioleoyl ester analog results in increased expression of FOS mRNA] | decreases^reaction|increases^expression | 15501433 |
| 42 | 71-36-3 | GABRA1 | Homo sapiens | 1-Butanol affects the reaction [gamma-Aminobutyric Acid binds to and results in increased activity of [GABRG2 protein binds to GABRA1 protein binds to GABRB2 protein]] | affects^binding|affects^reaction|increases^activity | 11137757 |
| 43 | 71-36-3 | GABRA1 | Mus musculus | 1-Butanol results in increased activity of GABRA1 protein | increases^activity | 16807363 |
| 44 | 71-36-3 | GAP43 | Rattus norvegicus | 1-Butanol inhibits the reaction [Potassium Chloride results in increased expression of GAP43 mRNA] | decreases^reaction|increases^expression | 18004999 |
| 45 | 71-36-3 | GRIA3 | 1-Butanol results in decreased activity of GRIA3 protein | decreases^activity | 11429388 | |
| 46 | 71-36-3 | HTR3A | Homo sapiens | 1-Butanol promotes the reaction [Serotonin binds to and results in increased activity of [HTR3A protein binds to HTR3A protein]] | affects^binding|increases^activity|increases^reaction | 17360702 |
| 47 | 71-36-3 | HTR3A | Homo sapiens | 1-Butanol promotes the reaction [Serotonin binds to and results in increased activity of [HTR3A protein binds to HTR3B protein]] | affects^binding|increases^activity|increases^reaction | 17360702 |
| 48 | 71-36-3 | IGFBP1 | Homo sapiens | 1-Butanol inhibits the reaction [8-Bromo Cyclic Adenosine Monophosphate results in increased expression of IGFBP1 mRNA] | decreases^reaction|increases^expression | 17065600 |
| 49 | 71-36-3 | IL1B | Homo sapiens | 1-Butanol inhibits the reaction [IL1B protein results in increased expression of PTGS2 protein] | decreases^reaction|increases^expression | 11854442 |
| 50 | 71-36-3 | IL2 | Homo sapiens | 1-Butanol inhibits the reaction [[4-O-methyl-12-O-tetradecanoylphorbol 13-acetate co-treated with Ionomycin] results in increased expression of IL2 protein] | affects^cotreatment|decreases^reaction|increases^expression | 18423386 |
| 51 | 71-36-3 | MAPK1 | Bos taurus | 1-Butanol inhibits the reaction [Serotonin results in increased phosphorylation of and results in increased activity of MAPK1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 18621911 |
| 52 | 71-36-3 | MAPK1 | Cricetulus griseus | 1-Butanol inhibits the reaction [Phenylephrine results in increased phosphorylation of and results in increased activity of MAPK1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 17461971 |
| 53 | 71-36-3 | MAPK1 | Homo sapiens | 1-Butanol inhibits the reaction [[4-O-methyl-12-O-tetradecanoylphorbol 13-acetate co-treated with Ionomycin] results in increased phosphorylation of and results in increased activity of MAPK1 protein] | affects^cotreatment|decreases^reaction|increases^activity|increases^phosphorylation | 18423386 |
| 54 | 71-36-3 | MAPK1 | Homo sapiens | 1-Butanol inhibits the reaction [VEGFA protein results in increased phosphorylation of and results in increased activity of MAPK1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 14704231 |
| 55 | 71-36-3 | MAPK1 | Mus musculus | 1-Butanol results in decreased phosphorylation of and results in decreased activity of MAPK1 protein | decreases^activity|decreases^phosphorylation | 15657063 |
| 56 | 71-36-3 | MAPK1 | Rattus norvegicus | 1-Butanol inhibits the reaction [P2RY1 protein affects the reaction [Nucleotides results in increased phosphorylation of and results in increased activity of MAPK1 protein]] | affects^reaction|decreases^reaction|increases^activity|increases^phosphorylation | 17620283 |
| 57 | 71-36-3 | MAPK3 | Bos taurus | 1-Butanol inhibits the reaction [Serotonin results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 18621911 |
| 58 | 71-36-3 | MAPK3 | Cricetulus griseus | 1-Butanol inhibits the reaction [Phenylephrine results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 17461971 |
| 59 | 71-36-3 | MAPK3 | Homo sapiens | 1-Butanol inhibits the reaction [VEGFA protein results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 14704231 |
| 60 | 71-36-3 | MAPK3 | Mus musculus | 1-Butanol affects the reaction [RACK1 protein affects the reaction [Tetradecanoylphorbol Acetate results in increased phosphorylation of and results in increased activity of MAPK3 protein]] | affects^reaction|increases^activity|increases^phosphorylation | 12782152 |
| 61 | 71-36-3 | MAPK3 | Mus musculus | 1-Butanol inhibits the reaction [PDGFB protein results in increased phosphorylation of and results in increased activity of MAPK3 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 12782152 |
| 62 | 71-36-3 | MAPK3 | Mus musculus | 1-Butanol results in decreased phosphorylation of and results in decreased activity of MAPK3 protein | decreases^activity|decreases^phosphorylation | 15657063 |
| 63 | 71-36-3 | MAPK3 | Rattus norvegicus | 1-Butanol inhibits the reaction [P2RY1 protein affects the reaction [Nucleotides results in increased phosphorylation of and results in increased activity of MAPK3 protein]] | affects^reaction|decreases^reaction|increases^activity|increases^phosphorylation | 17620283 |
| 64 | 71-36-3 | MMP9 | Cricetulus griseus | 1-Butanol inhibits the reaction [Phenylephrine results in increased activity of MMP9 protein] | decreases^reaction|increases^activity | 18539131 |
| 65 | 71-36-3 | MTOR | Mus musculus | 1-Butanol affects the activity of MTOR protein | affects^activity | 16537399 |
| 66 | 71-36-3 | OPRM1 | Rattus norvegicus | [1-Butanol inhibits the reaction [PLD2 protein results in increased chemical synthesis of Phosphatidic Acids]] affects the reaction [PENK protein binds to and results in increased activity of OPRM1 protein] | affects^binding|affects^reaction|decreases^reaction|increases^activity|increases^chemical synthesis | 14720217 |
| 67 | 71-36-3 | PIP5K1A | Mus musculus | 1-Butanol inhibits the reaction [lysophosphatidic acid results in increased activity of PIP5K1A protein] | decreases^reaction|increases^activity | 10913605 |
| 68 | 71-36-3 | PLD1 | Musculus | 1-Butanol results in decreased activity of PLD1 protein | decreases^activity | 16449385 |
| 69 | 71-36-3 | PLD1 | Rattus norvegicus | [1-Butanol inhibits the reaction [PRKCA protein binds to PLD1 protein]] which results in decreased activity of PLD1 protein | affects^binding|decreases^activity|decreases^reaction | 15652502 |
| 70 | 71-36-3 | PLD2 | Homo sapiens | 1-Butanol inhibits the reaction [ilimaquinone results in increased activity of PLD2 protein] | decreases^reaction|increases^activity | 17897952 |
| 71 | 71-36-3 | PLD2 | Rattus norvegicus | 1-Butanol results in decreased activity of PLD2 protein | decreases^activity | 18344600 |
| 72 | 71-36-3 | PRKCZ | Homo sapiens | 1-Butanol inhibits the reaction [Carbachol results in increased phosphorylation of and results in increased activity of PRKCZ protein] | decreases^reaction|increases^activity|increases^phosphorylation | 15255942 |
| 73 | 71-36-3 | PRKCZ | Rattus norvegicus | 1-Butanol inhibits the reaction [AICA ribonucleotide results in increased activity of PRKCZ protein] | decreases^reaction|increases^activity | 11978788 |
| 74 | 71-36-3 | PRL | Homo sapiens | 1-Butanol inhibits the reaction [8-Bromo Cyclic Adenosine Monophosphate results in increased expression of PRL mRNA] | decreases^reaction|increases^expression | 17065600 |
| 75 | 71-36-3 | PRSS1 | Bos taurus | 1-Butanol affects the folding of and affects the activity of PRSS1 protein | affects^activity|affects^folding | 25906839 |
| 76 | 71-36-3 | PTGS2 | Homo sapiens | 1-Butanol inhibits the reaction [cobaltous chloride results in increased expression of PTGS2 protein] | decreases^reaction|increases^expression | 17640750 |
| 77 | 71-36-3 | PTGS2 | Homo sapiens | 1-Butanol inhibits the reaction [epigallocatechin gallate results in increased expression of PTGS2 protein] | decreases^reaction|increases^expression | 15210717 |
| 78 | 71-36-3 | PTGS2 | Mus musculus | 1-Butanol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 mRNA] | decreases^reaction|increases^expression | 12872987 |
| 79 | 71-36-3 | PTGS2 | Mus musculus | 1-Butanol inhibits the reaction [Lipopolysaccharides results in increased expression of PTGS2 protein] | decreases^reaction|increases^expression | 12872987 |
| 80 | 71-36-3 | RPS6 | Bos taurus | 1-Butanol inhibits the reaction [Serotonin results in increased phosphorylation of and results in increased activity of RPS6 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 18621911 |
| 81 | 71-36-3 | RPS6KB1 | Bos taurus | 1-Butanol inhibits the reaction [Serotonin results in increased phosphorylation of and results in increased activity of RPS6KB1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 18621911 |
| 82 | 71-36-3 | RPS6KB1 | Homo sapiens | 1-Butanol inhibits the reaction [Carbachol results in increased phosphorylation of and results in increased activity of RPS6KB1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 15255942 |
| 83 | 71-36-3 | RPS6KB1 | Rattus norvegicus | 1-Butanol inhibits the reaction [Hydrogen Peroxide results in increased phosphorylation of and results in increased activity of RPS6KB1 protein] | decreases^reaction|increases^activity|increases^phosphorylation | 15705590 |
| 84 | 71-36-3 | RPS6KB2 | Homo sapiens | 1-Butanol results in decreased activity of RPS6KB2 protein | decreases^activity | 12087098 |
| 85 | 71-36-3 | SHAW | Drosophila melanogaster | 1-Butanol binds to SHAW protein | affects^binding | 16887933 |
| 86 | 71-36-3 | SHAW | Drosophila melanogaster | [1-Butanol binds to SHAW protein] inhibits the reaction [SHAW protein results in increased transport of Potassium] | affects^binding|decreases^reaction|increases^transport | 14503874 |
| 87 | 71-36-3 | STS | Homo sapiens | 1-Butanol inhibits the reaction [Tretinoin results in increased activity of STS protein] | decreases^reaction|increases^activity | 16178010 |
| 88 | 71-36-3 | SYN1 | Rattus norvegicus | 1-Butanol inhibits the reaction [Potassium Chloride results in increased expression of SYN1 mRNA] | decreases^reaction|increases^expression | 18004999 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 71-36-3 | Butanol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Papaya | Carica papaya essential oil | ||
| 2 | Papaya | Carica papaya essential oil |
Compound Image
2D Structure
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