AromaDb: A Database of Plant's Aroma Molecules

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 ID263
Molecular Weight (mg/mol)74.1216
Molecular FormulaC4H10O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Namebutan-1-ol
Canonical SMILESCCCCO
PUBCHEM IUPAC INCHIKEYLRHPLDYGYMQRHN-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.97
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.49022 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed 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 DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 71-36-3 Butanol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Papaya Carica papaya essential oil
2 Papaya Carica papaya essential oil

Compound Image


2D Structure

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