AromaDb: A Database of Plant's Aroma Molecules

Hexanal Details

: IUPAC Name
hexanal
:Chemical Class
:CAS Registry Number
66-25-1
:Description

:Fragrance Type
grass

Physical and Chemical properties

PUBCHEM ID6184
Molecular Weight (mg/mol)100.159
Molecular FormulaC6H12O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Namehexanal
Canonical SMILESCCCCCC=O
PUBCHEM IUPAC INCHIKEYJARKCYVAAOWBJS-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.998

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA17.1
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.853
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.33726 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human GenesALDH7A1,GRM2,ADA,CYP11A1,GRM3,AKR1A1,GUSB,LRAT,FAR2,NR1I3,ACP2,ACP5,ACPT,PON2,PON1,PON3,KL,MECR,FUCA2,AWAT2,ALPI,ALPPL2,ZADH2,TP53I3,ADH1B

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 66-25-1 ADGRE2 Homo sapiens n-hexanal results in increased expression of ADGRE2 mRNA increases^expression 25014914
2 66-25-1 ADGRE2 Homo sapiens n-hexanal results in increased expression of ADGRE2 mRNA increases^expression 25014914
3 66-25-1 ADH6 Rattus norvegicus n-hexanal affects the expression of ADH6 mRNA affects^expression 26880647
4 66-25-1 ADH6 Rattus norvegicus n-hexanal affects the expression of ADH6 mRNA affects^expression 26880647
5 66-25-1 AKR7A5 Mus musculus AKR7A5 protein results in decreased susceptibility to n-hexanal decreases^response to substance 24590062
6 66-25-1 AKR7A5 Mus musculus AKR7A5 protein results in decreased susceptibility to n-hexanal decreases^response to substance 24590062
7 66-25-1 ALDH3A1 Homo sapiens ALDH3A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 11306050
8 66-25-1 ALDH3A1 Homo sapiens ALDH3A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 11306050
9 66-25-1 ALDH3B1 Homo sapiens ALDH3B1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 20699116
10 66-25-1 ALDH3B1 Homo sapiens ALDH3B1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 20699116
11 66-25-1 ALDH3B1 Homo sapiens n-hexanal binds to ALDH3B1 protein affects^binding 20699116
12 66-25-1 ALDH3B1 Homo sapiens n-hexanal binds to ALDH3B1 protein affects^binding 20699116
13 66-25-1 ALDH7A1 Homo sapiens ALDH7A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 21338592
14 66-25-1 ALDH7A1 Homo sapiens ALDH7A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 21338592
15 66-25-1 B3GALT4 Homo sapiens n-hexanal results in decreased expression of B3GALT4 mRNA decreases^expression 25014914
16 66-25-1 B3GALT4 Homo sapiens n-hexanal results in decreased expression of B3GALT4 mRNA decreases^expression 25014914
17 66-25-1 CA9 Homo sapiens n-hexanal results in decreased expression of CA9 mRNA decreases^expression 25014914
18 66-25-1 CA9 Homo sapiens n-hexanal results in decreased expression of CA9 mRNA decreases^expression 25014914
19 66-25-1 CCL12 Rattus norvegicus n-hexanal affects the expression of CCL12 mRNA affects^expression 26880647
20 66-25-1 CCL12 Rattus norvegicus n-hexanal affects the expression of CCL12 mRNA affects^expression 26880647
21 66-25-1 CEBPD Rattus norvegicus n-hexanal affects the expression of CEBPD mRNA affects^expression 26880647
22 66-25-1 CEBPD Rattus norvegicus n-hexanal affects the expression of CEBPD mRNA affects^expression 26880647
23 66-25-1 CHGA Rattus norvegicus n-hexanal results in increased expression of CHGA mRNA increases^expression 26403475
24 66-25-1 CHGA Rattus norvegicus n-hexanal results in increased expression of CHGA mRNA increases^expression 26403475
25 66-25-1 CYP1A1 Homo sapiens n-hexanal results in increased expression of CYP1A1 mRNA increases^expression 25014914
26 66-25-1 CYP1A1 Homo sapiens n-hexanal results in increased expression of CYP1A1 mRNA increases^expression 25014914
27 66-25-1 DDIT4 Rattus norvegicus n-hexanal affects the expression of DDIT4 mRNA affects^expression 26880647
28 66-25-1 DDIT4 Rattus norvegicus n-hexanal affects the expression of DDIT4 mRNA affects^expression 26880647
29 66-25-1 DHRS9 Homo sapiens n-hexanal results in increased expression of DHRS9 mRNA increases^expression 25014914
30 66-25-1 DHRS9 Homo sapiens n-hexanal results in increased expression of DHRS9 mRNA increases^expression 25014914
31 66-25-1 KLF2 Rattus norvegicus n-hexanal affects the expression of KLF2 mRNA affects^expression 26880647
32 66-25-1 KLF2 Rattus norvegicus n-hexanal affects the expression of KLF2 mRNA affects^expression 26880647
33 66-25-1 MIR101A Rattus norvegicus n-hexanal results in decreased expression of MIR101A mRNA decreases^expression 26403475
34 66-25-1 MIR101A Rattus norvegicus n-hexanal results in decreased expression of MIR101A mRNA decreases^expression 26403475
35 66-25-1 MIR1188 Rattus norvegicus n-hexanal results in decreased expression of MIR1188 mRNA decreases^expression 26403475
36 66-25-1 MIR1188 Rattus norvegicus n-hexanal results in decreased expression of MIR1188 mRNA decreases^expression 26403475
37 66-25-1 MIR1224 Rattus norvegicus n-hexanal results in decreased expression of MIR1224 mRNA decreases^expression 26403475
38 66-25-1 MIR1224 Rattus norvegicus n-hexanal results in decreased expression of MIR1224 mRNA decreases^expression 26403475
39 66-25-1 MIR1249 Rattus norvegicus n-hexanal results in decreased expression of MIR1249 mRNA decreases^expression 26403475
40 66-25-1 MIR1249 Rattus norvegicus n-hexanal results in decreased expression of MIR1249 mRNA decreases^expression 26403475
41 66-25-1 MIR1306 Rattus norvegicus n-hexanal results in decreased expression of MIR1306 mRNA decreases^expression 26403475
42 66-25-1 MIR1306 Rattus norvegicus n-hexanal results in decreased expression of MIR1306 mRNA decreases^expression 26403475
43 66-25-1 MIR132 Rattus norvegicus n-hexanal results in increased expression of MIR132 mRNA increases^expression 26403475
44 66-25-1 MIR132 Rattus norvegicus n-hexanal results in increased expression of MIR132 mRNA increases^expression 26403475
45 66-25-1 MIR136 Rattus norvegicus n-hexanal results in decreased expression of MIR136 mRNA decreases^expression 26403475
46 66-25-1 MIR136 Rattus norvegicus n-hexanal results in decreased expression of MIR136 mRNA decreases^expression 26403475
47 66-25-1 MIR145 Rattus norvegicus n-hexanal results in decreased expression of MIR145 mRNA decreases^expression 26403475
48 66-25-1 MIR145 Rattus norvegicus n-hexanal results in decreased expression of MIR145 mRNA decreases^expression 26403475
49 66-25-1 MIR153 Rattus norvegicus n-hexanal results in decreased expression of MIR153 mRNA decreases^expression 26403475
50 66-25-1 MIR153 Rattus norvegicus n-hexanal results in decreased expression of MIR153 mRNA decreases^expression 26403475
51 66-25-1 MIR181B1 Rattus norvegicus n-hexanal results in decreased expression of MIR181B1 mRNA decreases^expression 26403475
52 66-25-1 MIR181B1 Rattus norvegicus n-hexanal results in decreased expression of MIR181B1 mRNA decreases^expression 26403475
53 66-25-1 MIR184 Rattus norvegicus n-hexanal results in decreased expression of MIR184 mRNA decreases^expression 26403475
54 66-25-1 MIR184 Rattus norvegicus n-hexanal results in decreased expression of MIR184 mRNA decreases^expression 26403475
55 66-25-1 MIR188 Rattus norvegicus n-hexanal results in decreased expression of MIR188 mRNA decreases^expression 26403475
56 66-25-1 MIR188 Rattus norvegicus n-hexanal results in decreased expression of MIR188 mRNA decreases^expression 26403475
57 66-25-1 MIR190 Rattus norvegicus n-hexanal results in decreased expression of MIR190 mRNA decreases^expression 26403475
58 66-25-1 MIR190 Rattus norvegicus n-hexanal results in decreased expression of MIR190 mRNA decreases^expression 26403475
59 66-25-1 MIR193A Rattus norvegicus n-hexanal results in decreased expression of MIR193A mRNA decreases^expression 26403475
60 66-25-1 MIR193A Rattus norvegicus n-hexanal results in decreased expression of MIR193A mRNA decreases^expression 26403475
61 66-25-1 MIR200A Rattus norvegicus n-hexanal results in decreased expression of MIR200A mRNA decreases^expression 26403475
62 66-25-1 MIR200A Rattus norvegicus n-hexanal results in decreased expression of MIR200A mRNA decreases^expression 26403475
63 66-25-1 MIR201 Rattus norvegicus n-hexanal results in decreased expression of MIR201 mRNA decreases^expression 26403475
64 66-25-1 MIR201 Rattus norvegicus n-hexanal results in decreased expression of MIR201 mRNA decreases^expression 26403475
65 66-25-1 MIR217 Rattus norvegicus n-hexanal results in decreased expression of MIR217 mRNA decreases^expression 26403475
66 66-25-1 MIR217 Rattus norvegicus n-hexanal results in decreased expression of MIR217 mRNA decreases^expression 26403475
67 66-25-1 MIR221 Rattus norvegicus n-hexanal results in decreased expression of MIR221 mRNA decreases^expression 26403475
68 66-25-1 MIR221 Rattus norvegicus n-hexanal results in decreased expression of MIR221 mRNA decreases^expression 26403475
69 66-25-1 MIR224 Rattus norvegicus n-hexanal results in decreased expression of MIR224 mRNA decreases^expression 26403475
70 66-25-1 MIR224 Rattus norvegicus n-hexanal results in decreased expression of MIR224 mRNA decreases^expression 26403475
71 66-25-1 MIR292 Rattus norvegicus n-hexanal results in decreased expression of MIR292 mRNA decreases^expression 26403475
72 66-25-1 MIR292 Rattus norvegicus n-hexanal results in decreased expression of MIR292 mRNA decreases^expression 26403475
73 66-25-1 MIR299 Rattus norvegicus n-hexanal results in decreased expression of MIR299 mRNA decreases^expression 26403475
74 66-25-1 MIR299 Rattus norvegicus n-hexanal results in decreased expression of MIR299 mRNA decreases^expression 26403475
75 66-25-1 MIR29B2 Rattus norvegicus n-hexanal results in decreased expression of MIR29B2 mRNA decreases^expression 26403475
76 66-25-1 MIR29B2 Rattus norvegicus n-hexanal results in decreased expression of MIR29B2 mRNA decreases^expression 26403475
77 66-25-1 MIR3075 Rattus norvegicus n-hexanal results in decreased expression of MIR3075 mRNA decreases^expression 26403475
78 66-25-1 MIR3075 Rattus norvegicus n-hexanal results in decreased expression of MIR3075 mRNA decreases^expression 26403475
79 66-25-1 MIR3102 Rattus norvegicus n-hexanal results in decreased expression of MIR3102 mRNA decreases^expression 26403475
80 66-25-1 MIR3102 Rattus norvegicus n-hexanal results in decreased expression of MIR3102 mRNA decreases^expression 26403475
81 66-25-1 MIR326 Rattus norvegicus n-hexanal results in decreased expression of MIR326 mRNA decreases^expression 26403475
82 66-25-1 MIR326 Rattus norvegicus n-hexanal results in decreased expression of MIR326 mRNA decreases^expression 26403475
83 66-25-1 MIR327 Rattus norvegicus n-hexanal results in decreased expression of MIR327 mRNA decreases^expression 26403475
84 66-25-1 MIR327 Rattus norvegicus n-hexanal results in decreased expression of MIR327 mRNA decreases^expression 26403475
85 66-25-1 MIR328B Rattus norvegicus n-hexanal results in decreased expression of MIR328B mRNA decreases^expression 26403475
86 66-25-1 MIR328B Rattus norvegicus n-hexanal results in decreased expression of MIR328B mRNA decreases^expression 26403475
87 66-25-1 MIR337 Rattus norvegicus n-hexanal results in decreased expression of MIR337 mRNA decreases^expression 26403475
88 66-25-1 MIR337 Rattus norvegicus n-hexanal results in decreased expression of MIR337 mRNA decreases^expression 26403475
89 66-25-1 MIR341 Rattus norvegicus n-hexanal results in decreased expression of MIR341 mRNA decreases^expression 26403475
90 66-25-1 MIR341 Rattus norvegicus n-hexanal results in decreased expression of MIR341 mRNA decreases^expression 26403475
91 66-25-1 MIR3568 Rattus norvegicus n-hexanal results in decreased expression of MIR3568 mRNA decreases^expression 26403475
92 66-25-1 MIR3568 Rattus norvegicus n-hexanal results in decreased expression of MIR3568 mRNA decreases^expression 26403475
93 66-25-1 MIR3582 Rattus norvegicus n-hexanal results in decreased expression of MIR3582 mRNA decreases^expression 26403475
94 66-25-1 MIR3582 Rattus norvegicus n-hexanal results in decreased expression of MIR3582 mRNA decreases^expression 26403475
95 66-25-1 MIR3585 Rattus norvegicus n-hexanal results in decreased expression of MIR3585 mRNA decreases^expression 26403475
96 66-25-1 MIR3585 Rattus norvegicus n-hexanal results in decreased expression of MIR3585 mRNA decreases^expression 26403475
97 66-25-1 MIR3594 Rattus norvegicus n-hexanal results in decreased expression of MIR3594 mRNA decreases^expression 26403475
98 66-25-1 MIR3594 Rattus norvegicus n-hexanal results in decreased expression of MIR3594 mRNA decreases^expression 26403475
99 66-25-1 MIR376A Rattus norvegicus n-hexanal results in decreased expression of MIR376A mRNA decreases^expression 26403475
100 66-25-1 MIR376A Rattus norvegicus n-hexanal results in decreased expression of MIR376A mRNA decreases^expression 26403475
101 66-25-1 MIR376C Rattus norvegicus n-hexanal results in decreased expression of MIR376C mRNA decreases^expression 26403475
102 66-25-1 MIR376C Rattus norvegicus n-hexanal results in decreased expression of MIR376C mRNA decreases^expression 26403475
103 66-25-1 MIR381 Rattus norvegicus n-hexanal results in decreased expression of MIR381 mRNA decreases^expression 26403475
104 66-25-1 MIR381 Rattus norvegicus n-hexanal results in decreased expression of MIR381 mRNA decreases^expression 26403475
105 66-25-1 MIR382 Rattus norvegicus n-hexanal results in decreased expression of MIR382 mRNA decreases^expression 26403475
106 66-25-1 MIR382 Rattus norvegicus n-hexanal results in decreased expression of MIR382 mRNA decreases^expression 26403475
107 66-25-1 MIR411 Rattus norvegicus n-hexanal results in decreased expression of MIR411 mRNA decreases^expression 26403475
108 66-25-1 MIR411 Rattus norvegicus n-hexanal results in decreased expression of MIR411 mRNA decreases^expression 26403475
109 66-25-1 MIR421 Rattus norvegicus n-hexanal results in decreased expression of MIR421 mRNA decreases^expression 26403475
110 66-25-1 MIR421 Rattus norvegicus n-hexanal results in decreased expression of MIR421 mRNA decreases^expression 26403475
111 66-25-1 MIR425 Rattus norvegicus n-hexanal results in decreased expression of MIR425 mRNA decreases^expression 26403475
112 66-25-1 MIR425 Rattus norvegicus n-hexanal results in decreased expression of MIR425 mRNA decreases^expression 26403475
113 66-25-1 MIR431 Rattus norvegicus n-hexanal results in decreased expression of MIR431 mRNA decreases^expression 26403475
114 66-25-1 MIR431 Rattus norvegicus n-hexanal results in decreased expression of MIR431 mRNA decreases^expression 26403475
115 66-25-1 MIR433 Rattus norvegicus n-hexanal results in decreased expression of MIR433 mRNA decreases^expression 26403475
116 66-25-1 MIR433 Rattus norvegicus n-hexanal results in decreased expression of MIR433 mRNA decreases^expression 26403475
117 66-25-1 MIR483 Rattus norvegicus n-hexanal results in decreased expression of MIR483 mRNA decreases^expression 26403475
118 66-25-1 MIR483 Rattus norvegicus n-hexanal results in decreased expression of MIR483 mRNA decreases^expression 26403475
119 66-25-1 MIR541 Rattus norvegicus n-hexanal results in decreased expression of MIR541 mRNA decreases^expression 26403475
120 66-25-1 MIR541 Rattus norvegicus n-hexanal results in decreased expression of MIR541 mRNA decreases^expression 26403475
121 66-25-1 MIR6315 Rattus norvegicus n-hexanal results in decreased expression of MIR6315 mRNA decreases^expression 26403475
122 66-25-1 MIR6315 Rattus norvegicus n-hexanal results in decreased expression of MIR6315 mRNA decreases^expression 26403475
123 66-25-1 MIR6317-1 Rattus norvegicus n-hexanal results in decreased expression of MIR6317-1 mRNA decreases^expression 26403475
124 66-25-1 MIR6317-1 Rattus norvegicus n-hexanal results in decreased expression of MIR6317-1 mRNA decreases^expression 26403475
125 66-25-1 MIR6332 Rattus norvegicus n-hexanal results in decreased expression of MIR6332 mRNA decreases^expression 26403475
126 66-25-1 MIR6332 Rattus norvegicus n-hexanal results in decreased expression of MIR6332 mRNA decreases^expression 26403475
127 66-25-1 MIR664-2 Rattus norvegicus n-hexanal results in decreased expression of MIR664-2 mRNA decreases^expression 26403475
128 66-25-1 MIR664-2 Rattus norvegicus n-hexanal results in decreased expression of MIR664-2 mRNA decreases^expression 26403475
129 66-25-1 MIR667 Rattus norvegicus n-hexanal results in decreased expression of MIR667 mRNA decreases^expression 26403475
130 66-25-1 MIR667 Rattus norvegicus n-hexanal results in decreased expression of MIR667 mRNA decreases^expression 26403475
131 66-25-1 MIR678 Rattus norvegicus n-hexanal results in decreased expression of MIR678 mRNA decreases^expression 26403475
132 66-25-1 MIR678 Rattus norvegicus n-hexanal results in decreased expression of MIR678 mRNA decreases^expression 26403475
133 66-25-1 MIR7B Rattus norvegicus n-hexanal results in decreased expression of MIR7B mRNA decreases^expression 26403475
134 66-25-1 MIR7B Rattus norvegicus n-hexanal results in decreased expression of MIR7B mRNA decreases^expression 26403475
135 66-25-1 MIRLET7F-1 Rattus norvegicus n-hexanal results in decreased expression of MIRLET7F-1 mRNA decreases^expression 26403475
136 66-25-1 MIRLET7F-1 Rattus norvegicus n-hexanal results in decreased expression of MIRLET7F-1 mRNA decreases^expression 26403475
137 66-25-1 MYC Homo sapiens n-hexanal results in decreased expression of MYC mRNA decreases^expression 12921975
138 66-25-1 MYC Homo sapiens n-hexanal results in decreased expression of MYC mRNA decreases^expression 12921975
139 66-25-1 SCARNA3 Rattus norvegicus n-hexanal results in decreased expression of SCARNA3 mRNA decreases^expression 26403475
140 66-25-1 SCARNA3 Rattus norvegicus n-hexanal results in decreased expression of SCARNA3 mRNA decreases^expression 26403475
141 66-25-1 SLC39A5 Homo sapiens n-hexanal results in decreased expression of SLC39A5 mRNA decreases^expression 25014914
142 66-25-1 SLC39A5 Homo sapiens n-hexanal results in decreased expression of SLC39A5 mRNA decreases^expression 25014914
143 66-25-1 SNORA58 Rattus norvegicus n-hexanal results in decreased expression of SNORA58 mRNA decreases^expression 26403475
144 66-25-1 SNORA58 Rattus norvegicus n-hexanal results in decreased expression of SNORA58 mRNA decreases^expression 26403475
145 66-25-1 TP53 Homo sapiens n-hexanal results in decreased expression of TP53 mRNA decreases^expression 12921975
146 66-25-1 TP53 Homo sapiens n-hexanal results in decreased expression of TP53 mRNA decreases^expression 12921975
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 66-25-1 Hexanal

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Chamomile, German chamomile, Gule-babuna Vallary Chamomilla recutita Vallary essential oil
2 Starflower Borago officinalis essential oil
3 Abies sachalinensis Abies sachalinensis essential oil
4 Chikras Chukrasia tabularis essential oil
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