P-Cresol Details
:
IUPAC Name
4-methylphenol
:Chemical Class
:CAS Registry Number
106-44-5
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 2879 |
| Molecular Weight (g/mol) | 108.138 |
| Molecular Formula | C7H8O |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | 4-methylphenol |
| Canonical SMILES | Cc1ccc(O)cc1 |
| PUBCHEM IUPAC INCHIKEY | IWDCLRJOBJJRNH-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure | -0.929 |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | 20.2 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 2.074 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-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 | 1.49231 g/kg_body_weight |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Non-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 | 106-44-5 | ALB | Homo sapiens | 4-cresol binds to ALB protein | affects^binding | 11334365 |
| 2 | 106-44-5 | BECN1 | Homo sapiens | 4-cresol results in increased expression of BECN1 protein | increases^expression | 25668154 |
| 3 | 106-44-5 | BECN1 | Rattus norvegicus | 4-cresol results in increased expression of BECN1 | increases^expression | 25668154 |
| 4 | 106-44-5 | CASP3 | Homo sapiens | 4-cresol results in increased activity of CASP3 protein | increases^activity | 25668154 |
| 5 | 106-44-5 | CDH2 | Rattus norvegicus | 4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein] | affects^binding|decreases^reaction | 23466501 |
| 6 | 106-44-5 | CDH2 | Rattus norvegicus | Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]] | affects^binding|decreases^reaction | 23466501 |
| 7 | 106-44-5 | CX3CL1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein] | decreases^reaction|increases^expression | 16954166 |
| 8 | 106-44-5 | DBH | Bos taurus | 4-cresol results in decreased activity of DBH protein | decreases^activity | 2306476 |
| 9 | 106-44-5 | F11R | Homo sapiens | 4-cresol results in decreased expression of F11R protein | decreases^expression | 16954166 |
| 10 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 11 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 12 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 13 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 14 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 15 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 16 | 106-44-5 | MPO | 4-cresol binds to MPO protein | affects^binding | 8132563 | |
| 17 | 106-44-5 | PRKCA | Rattus norvegicus | 4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein | increases^activity|increases^phosphorylation | 23466501 |
| 18 | 106-44-5 | PRKCA | Rattus norvegicus | PRKCA protein results in increased susceptibility to 4-cresol | increases^response to substance | 22813906 |
| 19 | 106-44-5 | PRKCA | 1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein] | decreases^reaction|increases^activity | 23466501 | |
| 20 | 106-44-5 | PTGS1 | Oryctolagus cuniculus | 4-cresol results in decreased activity of PTGS1 protein | decreases^activity | 15664436 |
| 21 | 106-44-5 | SQSTM1 | Homo sapiens | 4-cresol results in increased expression of SQSTM1 protein | increases^expression | 25668154 |
| 22 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 23 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 24 | 106-44-5 | ALB | Homo sapiens | 4-cresol binds to ALB protein | affects^binding | 11334365 |
| 25 | 106-44-5 | BECN1 | Homo sapiens | 4-cresol results in increased expression of BECN1 protein | increases^expression | 25668154 |
| 26 | 106-44-5 | BECN1 | Rattus norvegicus | 4-cresol results in increased expression of BECN1 | increases^expression | 25668154 |
| 27 | 106-44-5 | CASP3 | Homo sapiens | 4-cresol results in increased activity of CASP3 protein | increases^activity | 25668154 |
| 28 | 106-44-5 | CDH2 | Rattus norvegicus | 4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein] | affects^binding|decreases^reaction | 23466501 |
| 29 | 106-44-5 | CDH2 | Rattus norvegicus | Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]] | affects^binding|decreases^reaction | 23466501 |
| 30 | 106-44-5 | CX3CL1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein] | decreases^reaction|increases^expression | 16954166 |
| 31 | 106-44-5 | DBH | Bos taurus | 4-cresol results in decreased activity of DBH protein | decreases^activity | 2306476 |
| 32 | 106-44-5 | F11R | Homo sapiens | 4-cresol results in decreased expression of F11R protein | decreases^expression | 16954166 |
| 33 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 34 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 35 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 36 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 37 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 38 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 39 | 106-44-5 | MPO | 4-cresol binds to MPO protein | affects^binding | 8132563 | |
| 40 | 106-44-5 | PRKCA | Rattus norvegicus | 4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein | increases^activity|increases^phosphorylation | 23466501 |
| 41 | 106-44-5 | PRKCA | Rattus norvegicus | PRKCA protein results in increased susceptibility to 4-cresol | increases^response to substance | 22813906 |
| 42 | 106-44-5 | PRKCA | 1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein] | decreases^reaction|increases^activity | 23466501 | |
| 43 | 106-44-5 | PTGS1 | Oryctolagus cuniculus | 4-cresol results in decreased activity of PTGS1 protein | decreases^activity | 15664436 |
| 44 | 106-44-5 | SQSTM1 | Homo sapiens | 4-cresol results in increased expression of SQSTM1 protein | increases^expression | 25668154 |
| 45 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 46 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 47 | 106-44-5 | ALB | Homo sapiens | 4-cresol binds to ALB protein | affects^binding | 11334365 |
| 48 | 106-44-5 | BECN1 | Homo sapiens | 4-cresol results in increased expression of BECN1 protein | increases^expression | 25668154 |
| 49 | 106-44-5 | BECN1 | Rattus norvegicus | 4-cresol results in increased expression of BECN1 | increases^expression | 25668154 |
| 50 | 106-44-5 | CASP3 | Homo sapiens | 4-cresol results in increased activity of CASP3 protein | increases^activity | 25668154 |
| 51 | 106-44-5 | CDH2 | Rattus norvegicus | 4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein] | affects^binding|decreases^reaction | 23466501 |
| 52 | 106-44-5 | CDH2 | Rattus norvegicus | Go 6976 inhibits the reaction [4-cresol inhibits the reaction [CTNND1 protein binds to CDH2 protein]] | affects^binding|decreases^reaction | 23466501 |
| 53 | 106-44-5 | CX3CL1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of CX3CL1 protein] | decreases^reaction|increases^expression | 16954166 |
| 54 | 106-44-5 | DBH | Bos taurus | 4-cresol results in decreased activity of DBH protein | decreases^activity | 2306476 |
| 55 | 106-44-5 | F11R | Homo sapiens | 4-cresol results in decreased expression of F11R protein | decreases^expression | 16954166 |
| 56 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 57 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 58 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 59 | 106-44-5 | ICAM1 | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of ICAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 60 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 61 | 106-44-5 | IL1B | Homo sapiens | 4-cresol inhibits the reaction [IL1B protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| 62 | 106-44-5 | MPO | 4-cresol binds to MPO protein | affects^binding | 8132563 | |
| 63 | 106-44-5 | PRKCA | Rattus norvegicus | 4-cresol results in increased phosphorylation of and results in increased activity of PRKCA protein | increases^activity|increases^phosphorylation | 23466501 |
| 64 | 106-44-5 | PRKCA | Rattus norvegicus | PRKCA protein results in increased susceptibility to 4-cresol | increases^response to substance | 22813906 |
| 65 | 106-44-5 | PRKCA | 1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester inhibits the reaction [4-cresol results in increased activity of PRKCA protein] | decreases^reaction|increases^activity | 23466501 | |
| 66 | 106-44-5 | PTGS1 | Oryctolagus cuniculus | 4-cresol results in decreased activity of PTGS1 protein | decreases^activity | 15664436 |
| 67 | 106-44-5 | SQSTM1 | Homo sapiens | 4-cresol results in increased expression of SQSTM1 protein | increases^expression | 25668154 |
| 68 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 mRNA] | decreases^reaction|increases^expression | 12427124 |
| 69 | 106-44-5 | TNF | Homo sapiens | 4-cresol inhibits the reaction [TNF protein results in increased expression of VCAM1 protein] | decreases^reaction|increases^expression | 12427124 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 106-44-5 | P-Cresol |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Scotch spearmint | Mukta | Mentha X gracilis Mukta essential oil |
Compound Image
2D Structure
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