AromaDb: A Database of Plant's Aroma Molecules

Dodecanol Details

: IUPAC Name
dodecan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
112-53-8
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID 8193
Molecular Weight (g/mol) 186.334
Molecular Formula C12H26O
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 10
IUPAC Name dodecan-1-ol
Canonical SMILES CCCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEY LQZZUXJYWNFBMV-UHFFFAOYSA-N
Solubility Level 3
Vapour Pressure -3.009

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA 20.2
BBB Level 0
Absorption Level 0
EXT PPB#Prediction 1
AlogP98 4.62
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Non-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Single-Carcinogen
Rat Male FDA Non-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Toxic
Rat Oral LD50 4.52003 g/kg_body_weight
Ocular Irritancy None
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
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteractionInteraction Actions PubMed Id
1112-53-8ATF3Homo sapiensDodecanol analog results in increased expression of ATF3 mRNA increases^expression 27965148
2112-53-8CXCL8Homo sapiensDodecanol analog results in increased expression of CXCL8 mRNA increases^expression 27965148
3112-53-8DNAJB4Homo sapiensDodecanol analog results in increased expression of DNAJB4 mRNA increases^expression 27965148
4112-53-8GCLMHomo sapiensDodecanol analog results in increased expression of GCLM mRNA increases^expression 27965148
5112-53-8TRPV1Rattus norvegicuscapsazepine inhibits the reaction [dodecyl sulfate results in increased activity of TRPV1 protein] decreases^reaction|increases^activity 19540328
6112-53-8TRPV1Rattus norvegicusdodecyl sulfate results in increased activity of TRPV1 protein increases^activity 19540328
7112-53-8ABCA12Homo sapiensSodium Dodecyl Sulfate results in increased expression of ABCA12 mRNA increases^expression 25377654
8112-53-8ABCA6Homo sapiensSodium Dodecyl Sulfate results in decreased expression of ABCA6 mRNA decreases^expression 20713136
9112-53-8AKR1B1Homo sapiensSodium Dodecyl Sulfate results in increased expression of AKR1B1 mRNA increases^expression 20566472
10112-53-8AKR1B10Homo sapiensSodium Dodecyl Sulfate results in increased expression of AKR1B10 mRNA increases^expression 20566472
11112-53-8AKR1C1Homo sapiensSodium Dodecyl Sulfate results in increased expression of AKR1C1 mRNA increases^expression 20566472
12112-53-8AKR1C18Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of AKR1C18 mRNA decreases^expression 12815608
13112-53-8AKR1C2Homo sapiensSodium Dodecyl Sulfate results in increased expression of AKR1C2 mRNA increases^expression 20491607
14112-53-8AKR1C3Homo sapiensSodium Dodecyl Sulfate results in increased expression of AKR1C3 mRNA increases^expression 20566472
15112-53-8ARHGDIBHomo sapiensSodium Dodecyl Sulfate results in decreased expression of ARHGDIB mRNA decreases^expression 20713136
16112-53-8ATF3Homo sapiensSodium Dodecyl Sulfate results in increased expression of ATF3 mRNA increases^expression 23999411
17112-53-8BAMBIHomo sapiensSodium Dodecyl Sulfate results in increased expression of BAMBI mRNA increases^expression 20146380
18112-53-8CBLL1Mus musculusSodium Dodecyl Sulfate results in decreased expression of CBLL1 mRNA decreases^expression 21621594
19112-53-8CCL2Homo sapiensSodium Dodecyl Sulfate results in decreased expression of CCL2 mRNA decreases^expression 20713136
20112-53-8CCL4Homo sapiensSodium Dodecyl Sulfate results in decreased expression of CCL4 mRNA decreases^expression 20713136
21112-53-8CCR5Homo sapiensSodium Dodecyl Sulfate results in decreased expression of CCR5 mRNA decreases^expression 17936526
22112-53-8CCR7Homo sapiensSodium Dodecyl Sulfate results in increased expression of CCR7 mRNA increases^expression 19371601
23112-53-8CD40Homo sapiensSodium Dodecyl Sulfate results in decreased expression of CD40 mRNA decreases^expression 17936526
24112-53-8CD86Homo sapiensSodium Dodecyl Sulfate results in increased expression of CD86 protein increases^expression 19665512
25112-53-8CNFNHomo sapiensSodium Dodecyl Sulfate results in increased expression of CNFN mRNA increases^expression 25377654
26112-53-8CNFNHomo sapiensSodium Dodecyl Sulfate results in increased expression of CNFN protein increases^expression 25377654
27112-53-8CREB1Homo sapiensSodium Dodecyl Sulfate results in increased expression of CREB1 mRNA increases^expression 20385217
28112-53-8CSF2Homo sapiensSodium Dodecyl Sulfate results in increased expression of CSF2 mRNA increases^expression 11378323
29112-53-8CTGFHomo sapiensSodium Dodecyl Sulfate results in decreased expression of CTGF mRNA decreases^expression 25377654
30112-53-8CXCL10Homo sapiensSodium Dodecyl Sulfate results in increased expression of CXCL10 mRNA increases^expression 17936526
31112-53-8CXCL2Mus musculusSodium Dodecyl Sulfate results in decreased expression of CXCL2 protein decreases^expression 23178550
32112-53-8CXCL2Mus musculusSodium Dodecyl Sulfate results in increased expression of CXCL2 protein increases^expression 23178550
33112-53-8CXCL8Homo sapiensSodium Dodecyl Sulfate results in decreased expression of CXCL8 mRNA decreases^expression 17936526
34112-53-8CXCL8Homo sapiensSodium Dodecyl Sulfate results in increased expression of CXCL8 mRNA increases^expression 12781210|20146380|20491607|25290854|27965148
35112-53-8CXCL8Homo sapiensSodium Dodecyl Sulfate results in increased expression of CXCL8 protein increases^expression 25290854|25617811|8006454
36112-53-8CXCR4Homo sapiensSodium Dodecyl Sulfate results in increased expression of CXCR4 mRNA increases^expression 20713136
37112-53-8CYP1A1Homo sapiensSodium Dodecyl Sulfate results in increased expression of CYP1A1 mRNA increases^expression 20491607
38112-53-8CYP27A1Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of CYP27A1 mRNA decreases^expression 12815608
39112-53-8CYP2B2Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of CYP2B2 mRNA decreases^expression 12815608
40112-53-8CYP51Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of CYP51 mRNA decreases^expression 12815608
41112-53-8DHCR7Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of DHCR7 mRNA decreases^expression 12815608
42112-53-8DNAJB4Homo sapiensSodium Dodecyl Sulfate results in increased expression of DNAJB4 mRNA increases^expression 23999411
43112-53-8EGR1Homo sapiensSodium Dodecyl Sulfate results in increased expression of EGR1 mRNA increases^expression 25377654
44112-53-8FECHHomo sapiensSodium Dodecyl Sulfate results in increased expression of FECH mRNA increases^expression 20566472
45112-53-8FN1Homo sapiensSodium Dodecyl Sulfate results in decreased expression of FN1 mRNA decreases^expression 25377654
46112-53-8FOSRattus norvegicusSodium Dodecyl Sulfate results in decreased expression of FOS mRNA decreases^expression 12815608
47112-53-8FTLHomo sapiensSodium Dodecyl Sulfate results in increased expression of FTL mRNA increases^expression 20566472
48112-53-8G6PDHomo sapiensSodium Dodecyl Sulfate results in increased expression of G6PD mRNA increases^expression 20566472
49112-53-8GAPDHRattus norvegicusSodium Dodecyl Sulfate results in decreased expression of GAPDH mRNA decreases^expression 12815608
50112-53-8GBP1Mus musculusSodium Dodecyl Sulfate results in decreased expression of GBP1 mRNA decreases^expression 21621594
51112-53-8GCLCHomo sapiensSodium Dodecyl Sulfate results in increased expression of GCLC mRNA increases^expression 20566472
52112-53-8GCLMHomo sapiensSodium Dodecyl Sulfate results in increased expression of GCLM mRNA increases^expression 20566472
53112-53-8GJB1Mus musculusSodium Dodecyl Sulfate results in decreased expression of GJB1 mRNA decreases^expression 21621594
54112-53-8GJB2Rattus norvegicusSodium Dodecyl Sulfate results in increased expression of GJB2 mRNA increases^expression 12815608
55112-53-8GPXMytilus galloprovincialisSodium Dodecyl Sulfate results in increased activity of GPX protein increases^activity 20045192
56112-53-8GSRHomo sapiensSodium Dodecyl Sulfate results in increased expression of GSR mRNA increases^expression 20566472
57112-53-8HMOX1Homo sapiensSodium Dodecyl Sulfate results in increased expression of HMOX1 mRNA increases^expression 20566472
58112-53-8HMOX1Rattus norvegicusSodium Dodecyl Sulfate affects the expression of HMOX1 mRNA affects^expression 22954530
59112-53-8HSPA6Homo sapiensSodium Dodecyl Sulfate results in increased expression of HSPA6 mRNA increases^expression 23999411
60112-53-8HSPB1Homo sapiensSodium Dodecyl Sulfate results in increased expression of HSPB1 mRNA increases^expression 20332019
61112-53-8HSPB1Homo sapiensSodium Dodecyl Sulfate results in increased expression of HSPB1 protein increases^expression 20332019
62112-53-8HSPB1Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of HSPB1 mRNA decreases^expression 12815608
63112-53-8HSPH1Homo sapiensSodium Dodecyl Sulfate results in increased expression of HSPH1 mRNA increases^expression 23999411
64112-53-8ICAM1Homo sapiensSodium Dodecyl Sulfate results in increased expression of ICAM1 mRNA increases^expression 11378323
65112-53-8IFNGMus musculus[dibenzothiazyl disulfide co-treated with Sodium Dodecyl Sulfate] results in increased expression of IFNG protein affects^cotreatment|increases^expression 12062936
66112-53-8IFNGMus musculus[diethylamine co-treated with Sodium Dodecyl Sulfate] results in increased expression of IFNG protein affects^cotreatment|increases^expression 12062936
67112-53-8IL1AHomo sapiensSodium Dodecyl Sulfate results in increased expression of IL1A mRNA increases^expression 11378323|12781210|25290854
68112-53-8IL1AHomo sapiensSodium Dodecyl Sulfate results in increased expression of IL1A protein increases^expression 25290854
69112-53-8IL1BHomo sapiensSodium Dodecyl Sulfate results in increased expression of IL1B mRNA increases^expression 11378323|9856837
70112-53-8IL2Mus musculus[Sodium Dodecyl Sulfate co-treated with Ionomycin co-treated with Tetradecanoylphorbol Acetate] results in decreased expression of IL2 protein affects^cotreatment|decreases^expression 15588918
71112-53-8IL2Mus musculusSodium Dodecyl Sulfate results in increased expression of IL2 protein increases^expression 22381623
72112-53-8IL24Homo sapiensSodium Dodecyl Sulfate results in increased expression of IL24 protein increases^expression 25168428
73112-53-8IL4Mus musculus[dibenzothiazyl disulfide co-treated with Sodium Dodecyl Sulfate] results in increased expression of IL4 protein affects^cotreatment|increases^expression 12062936
74112-53-8IL4Mus musculus[diethylamine co-treated with Sodium Dodecyl Sulfate] results in increased expression of IL4 protein affects^cotreatment|increases^expression 12062936
75112-53-8IL6Homo sapiensSodium Dodecyl Sulfate results in increased expression of IL6 mRNA increases^expression 11378323
76112-53-8IL6Homo sapiens[Tetradecanoylphorbol Acetate co-treated with Sodium Dodecyl Sulfate] results in increased expression of and results in increased secretion of IL6 protein affects^cotreatment|increases^expression|increases^secretion 24964617
77112-53-8IL7RHomo sapiensSodium Dodecyl Sulfate results in increased expression of IL7R mRNA increases^expression 20713136
78112-53-8KNG1Rattus norvegicusSodium Dodecyl Sulfate results in increased expression of KNG1 mRNA increases^expression 12815608
79112-53-8KRT8Mus musculusSodium Dodecyl Sulfate results in decreased expression of KRT8 mRNA decreases^expression 21621594
80112-53-8LIASMus musculusSodium Dodecyl Sulfate results in increased expression of LIAS mRNA increases^expression 21621594
81112-53-8LTFMus musculusSodium Dodecyl Sulfate results in decreased expression of LTF mRNA decreases^expression 21621594
82112-53-8MAFFHomo sapiensSodium Dodecyl Sulfate results in increased expression of MAFF mRNA increases^expression 20491607
83112-53-8MAFGHomo sapiensSodium Dodecyl Sulfate results in increased expression of MAFG mRNA increases^expression 20566472
84112-53-8MAP3K1Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of MAP3K1 mRNA decreases^expression 12815608
85112-53-8MBEquus caballusSodium Dodecyl Sulfate inhibits the reaction [[MB protein modified form co-treated with Arachidonic Acid] results in increased metabolism of Oxygen] affects^cotreatment|decreases^reaction|increases^metabolic processing 2498331
86112-53-8ME1Homo sapiensSodium Dodecyl Sulfate results in increased expression of ME1 mRNA increases^expression 20566472
87112-53-8MT1AHomo sapiensSodium Dodecyl Sulfate results in increased expression of MT1A mRNA increases^expression 20491607
88112-53-8MUCL1Mus musculusSodium Dodecyl Sulfate results in decreased expression of MUCL1 mRNA decreases^expression 21621594
89112-53-8MUP2Mus musculusSodium Dodecyl Sulfate affects the expression of MUP2 mRNA affects^expression 21621594
90112-53-8MXD1Homo sapiensSodium Dodecyl Sulfate results in increased expression of MXD1 mRNA increases^expression 20713136
91112-53-8MYCRattus norvegicusSodium Dodecyl Sulfate results in increased expression of MYC mRNA increases^expression 12815608
92112-53-8NFKB1Homo sapiensSodium Dodecyl Sulfate affects the expression of NFKB1 mRNA affects^expression 20385217
93112-53-8NQO1Homo sapiensSodium Dodecyl Sulfate results in increased expression of NQO1 mRNA increases^expression 20491607|20566472
94112-53-8NR4A2Homo sapiensSodium Dodecyl Sulfate results in increased expression of NR4A2 mRNA increases^expression 25377654
95112-53-8PASKRattus norvegicusSodium Dodecyl Sulfate results in decreased expression of PASK mRNA decreases^expression 12815608
96112-53-8PGDHomo sapiensSodium Dodecyl Sulfate results in increased expression of PGD mRNA increases^expression 20566472
97112-53-8PI3Homo sapiensSodium Dodecyl Sulfate results in decreased expression of PI3 mRNA decreases^expression 17936526
98112-53-8PPARG2-chloro-5-nitrobenzanilide inhibits the reaction [Sodium Dodecyl Sulfate binds to and results in increased activity of PPARG protein] affects^binding|decreases^reaction|increases^activity 24025786
99112-53-8PPARGSodium Dodecyl Sulfate binds to and results in increased activity of PPARG protein affects^binding|increases^activity 24025786
100112-53-8PSME3Homo sapiensSodium Dodecyl Sulfate results in increased expression of PSME3 protein increases^expression 20332019
101112-53-8PTGR1Homo sapiensSodium Dodecyl Sulfate results in increased expression of PTGR1 mRNA increases^expression 20566472
102112-53-8RARARattus norvegicusSodium Dodecyl Sulfate results in decreased expression of RARA mRNA decreases^expression 12815608
103112-53-8RGS1Homo sapiensSodium Dodecyl Sulfate results in increased expression of RGS1 mRNA increases^expression 20713136
104112-53-8RNA5SP455Homo sapiensSodium Dodecyl Sulfate results in increased expression of RNA5SP455 mRNA increases^expression 25377654
105112-53-8S100A9Homo sapiensSodium Dodecyl Sulfate results in decreased expression of S100A9 mRNA decreases^expression 17936526
106112-53-8SCD1Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of SCD1 mRNA decreases^expression 12815608
107112-53-8SERINC3Mus musculusSodium Dodecyl Sulfate results in increased expression of SERINC3 mRNA increases^expression 21621594
108112-53-8SERPINB3Homo sapiensSodium Dodecyl Sulfate results in decreased expression of SERPINB3 protein decreases^expression 20332019
109112-53-8SOD1Rattus norvegicusSodium Dodecyl Sulfate results in decreased expression of SOD1 mRNA decreases^expression 12815608
110112-53-8SRXN1Homo sapiensSodium Dodecyl Sulfate results in increased expression of SRXN1 mRNA increases^expression 20566472
111112-53-8TERTHomo sapiensSodium Dodecyl Sulfate results in decreased expression of TERT mRNA decreases^expression 17936526
112112-53-8TEX261Mus musculusSodium Dodecyl Sulfate results in decreased expression of TEX261 mRNA decreases^expression 21621594
113112-53-8TLR2Homo sapiensSodium Dodecyl Sulfate results in increased expression of TLR2 mRNA increases^expression 17936526
114112-53-8TNFHomo sapiensSodium Dodecyl Sulfate affects the expression of TNF mRNA affects^expression 20385217
115112-53-8TNFHomo sapiensSodium Dodecyl Sulfate results in increased expression of TNF mRNA increases^expression 9856837
116112-53-8TNFAIP3Homo sapiensSodium Dodecyl Sulfate results in increased expression of TNFAIP3 mRNA increases^expression 20146380
117112-53-8TNFAIP6Homo sapiensSodium Dodecyl Sulfate results in decreased expression of TNFAIP6 mRNA decreases^expression 20713136
118112-53-8TXNHomo sapiensSodium Dodecyl Sulfate results in increased expression of TXN mRNA increases^expression 20491607
119112-53-8TXNRD1Homo sapiensSodium Dodecyl Sulfate results in increased expression of TXNRD1 mRNA increases^expression 20566472
120112-53-8VEGFAHomo sapiensSodium Dodecyl Sulfate results in increased expression of VEGFA mRNA increases^expression 25617811
121112-53-8VEGFAHomo sapiensSodium Dodecyl Sulfate results in increased expression of VEGFA protein increases^expression 25617811|9390328
122112-53-8VEGFCHomo sapiensSodium Dodecyl Sulfate results in increased expression of VEGFC mRNA increases^expression 25617811
123112-53-8VEGFDHomo sapiensSodium Dodecyl Sulfate results in increased expression of VEGFD mRNA increases^expression 20146380
124112-53-8ZFP459Mus musculusSodium Dodecyl Sulfate results in decreased expression of ZFP459 mRNA decreases^expression 21621594
Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 112-53-8 Dodecanol

Plant Variety and Essential oils

Serial No. Plant NameVariety NameEssential OilCompound Percentage
1 Gurmari Gymnema sylvestre essential oil
2 Sweet violet Viola odorata essential oil
3 Yellow bugle Ajuga chamaepitys essential oil
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2D Structure

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