AromaDb: A Database of Plant's Aroma Molecules

Caproic aldehyde Details

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

:Fragrance Type
grassy

Physical and Chemical properties

PUBCHEM ID 6184
Molecular Weight (g/mol) 100.162
Molecular Formula C6H12O
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
IUPAC Name Hexanal
Canonical SMILES CCCCCC=O
PUBCHEM IUPAC INCHIKEY JARKCYVAAOWBJS-UHFFFAOYSA-N
Solubility Level 4
Vapour Pressure 0.998

Absorption and Metabolism information

XLOGP3 AA NA
CACTVS TPSA 20.23
BBB Level 1
Absorption Level 0
EXT PPB#Prediction 0
AlogP98 1.853
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Non-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Single-Carcinogen
Rat Male FDA Multi-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Non-Toxic
Rat Oral LD50 2.33726
Ocular Irritancy Mild
Hepatotoxic#Prediction 0
Effected Human Genes NA

Ecological Information

Aerobic Biodegradability Prediction Degradable

Hazard(s) Identification

Physical hazards not classified
Health hazards Moderate
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteractionInteraction Actions PubMed Id
166-25-1ADGRE2Homo sapiensn-hexanal results in increased expression of ADGRE2 mRNA increases^expression 25014914
266-25-1ADH6Rattus norvegicusn-hexanal affects the expression of ADH6 mRNA affects^expression 26880647
366-25-1AKR7A5Mus musculusAKR7A5 protein results in decreased susceptibility to n-hexanal decreases^response to substance 24590062
466-25-1ALDH3A1Homo sapiensALDH3A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 11306050
566-25-1ALDH3B1Homo sapiensALDH3B1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 20699116
666-25-1ALDH3B1Homo sapiensn-hexanal binds to ALDH3B1 protein affects^binding 20699116
766-25-1ALDH7A1Homo sapiensALDH7A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 21338592
866-25-1B3GALT4Homo sapiensn-hexanal results in decreased expression of B3GALT4 mRNA decreases^expression 25014914
966-25-1CA9Homo sapiensn-hexanal results in decreased expression of CA9 mRNA decreases^expression 25014914
1066-25-1CCL12Rattus norvegicusn-hexanal affects the expression of CCL12 mRNA affects^expression 26880647
1166-25-1CEBPDRattus norvegicusn-hexanal affects the expression of CEBPD mRNA affects^expression 26880647
1266-25-1CHGARattus norvegicusn-hexanal results in increased expression of CHGA mRNA increases^expression 26403475
1366-25-1CYP1A1Homo sapiensn-hexanal results in increased expression of CYP1A1 mRNA increases^expression 25014914
1466-25-1DDIT4Rattus norvegicusn-hexanal affects the expression of DDIT4 mRNA affects^expression 26880647
1566-25-1DHRS9Homo sapiensn-hexanal results in increased expression of DHRS9 mRNA increases^expression 25014914
1666-25-1KLF2Rattus norvegicusn-hexanal affects the expression of KLF2 mRNA affects^expression 26880647
1766-25-1MIR101ARattus norvegicusn-hexanal results in decreased expression of MIR101A mRNA decreases^expression 26403475
1866-25-1MIR1188Rattus norvegicusn-hexanal results in decreased expression of MIR1188 mRNA decreases^expression 26403475
1966-25-1MIR1224Rattus norvegicusn-hexanal results in decreased expression of MIR1224 mRNA decreases^expression 26403475
2066-25-1MIR1249Rattus norvegicusn-hexanal results in decreased expression of MIR1249 mRNA decreases^expression 26403475
2166-25-1MIR1306Rattus norvegicusn-hexanal results in decreased expression of MIR1306 mRNA decreases^expression 26403475
2266-25-1MIR132Rattus norvegicusn-hexanal results in increased expression of MIR132 mRNA increases^expression 26403475
2366-25-1MIR136Rattus norvegicusn-hexanal results in decreased expression of MIR136 mRNA decreases^expression 26403475
2466-25-1MIR145Rattus norvegicusn-hexanal results in decreased expression of MIR145 mRNA decreases^expression 26403475
2566-25-1MIR153Rattus norvegicusn-hexanal results in decreased expression of MIR153 mRNA decreases^expression 26403475
2666-25-1MIR181B1Rattus norvegicusn-hexanal results in decreased expression of MIR181B1 mRNA decreases^expression 26403475
2766-25-1MIR184Rattus norvegicusn-hexanal results in decreased expression of MIR184 mRNA decreases^expression 26403475
2866-25-1MIR188Rattus norvegicusn-hexanal results in decreased expression of MIR188 mRNA decreases^expression 26403475
2966-25-1MIR190Rattus norvegicusn-hexanal results in decreased expression of MIR190 mRNA decreases^expression 26403475
3066-25-1MIR193ARattus norvegicusn-hexanal results in decreased expression of MIR193A mRNA decreases^expression 26403475
3166-25-1MIR200ARattus norvegicusn-hexanal results in decreased expression of MIR200A mRNA decreases^expression 26403475
3266-25-1MIR201Rattus norvegicusn-hexanal results in decreased expression of MIR201 mRNA decreases^expression 26403475
3366-25-1MIR217Rattus norvegicusn-hexanal results in decreased expression of MIR217 mRNA decreases^expression 26403475
3466-25-1MIR221Rattus norvegicusn-hexanal results in decreased expression of MIR221 mRNA decreases^expression 26403475
3566-25-1MIR224Rattus norvegicusn-hexanal results in decreased expression of MIR224 mRNA decreases^expression 26403475
3666-25-1MIR292Rattus norvegicusn-hexanal results in decreased expression of MIR292 mRNA decreases^expression 26403475
3766-25-1MIR299Rattus norvegicusn-hexanal results in decreased expression of MIR299 mRNA decreases^expression 26403475
3866-25-1MIR29B2Rattus norvegicusn-hexanal results in decreased expression of MIR29B2 mRNA decreases^expression 26403475
3966-25-1MIR3075Rattus norvegicusn-hexanal results in decreased expression of MIR3075 mRNA decreases^expression 26403475
4066-25-1MIR3102Rattus norvegicusn-hexanal results in decreased expression of MIR3102 mRNA decreases^expression 26403475
4166-25-1MIR326Rattus norvegicusn-hexanal results in decreased expression of MIR326 mRNA decreases^expression 26403475
4266-25-1MIR327Rattus norvegicusn-hexanal results in decreased expression of MIR327 mRNA decreases^expression 26403475
4366-25-1MIR328BRattus norvegicusn-hexanal results in decreased expression of MIR328B mRNA decreases^expression 26403475
4466-25-1MIR337Rattus norvegicusn-hexanal results in decreased expression of MIR337 mRNA decreases^expression 26403475
4566-25-1MIR341Rattus norvegicusn-hexanal results in decreased expression of MIR341 mRNA decreases^expression 26403475
4666-25-1MIR3568Rattus norvegicusn-hexanal results in decreased expression of MIR3568 mRNA decreases^expression 26403475
4766-25-1MIR3582Rattus norvegicusn-hexanal results in decreased expression of MIR3582 mRNA decreases^expression 26403475
4866-25-1MIR3585Rattus norvegicusn-hexanal results in decreased expression of MIR3585 mRNA decreases^expression 26403475
4966-25-1MIR3594Rattus norvegicusn-hexanal results in decreased expression of MIR3594 mRNA decreases^expression 26403475
5066-25-1MIR376ARattus norvegicusn-hexanal results in decreased expression of MIR376A mRNA decreases^expression 26403475
5166-25-1MIR376CRattus norvegicusn-hexanal results in decreased expression of MIR376C mRNA decreases^expression 26403475
5266-25-1MIR381Rattus norvegicusn-hexanal results in decreased expression of MIR381 mRNA decreases^expression 26403475
5366-25-1MIR382Rattus norvegicusn-hexanal results in decreased expression of MIR382 mRNA decreases^expression 26403475
5466-25-1MIR411Rattus norvegicusn-hexanal results in decreased expression of MIR411 mRNA decreases^expression 26403475
5566-25-1MIR421Rattus norvegicusn-hexanal results in decreased expression of MIR421 mRNA decreases^expression 26403475
5666-25-1MIR425Rattus norvegicusn-hexanal results in decreased expression of MIR425 mRNA decreases^expression 26403475
5766-25-1MIR431Rattus norvegicusn-hexanal results in decreased expression of MIR431 mRNA decreases^expression 26403475
5866-25-1MIR433Rattus norvegicusn-hexanal results in decreased expression of MIR433 mRNA decreases^expression 26403475
5966-25-1MIR483Rattus norvegicusn-hexanal results in decreased expression of MIR483 mRNA decreases^expression 26403475
6066-25-1MIR541Rattus norvegicusn-hexanal results in decreased expression of MIR541 mRNA decreases^expression 26403475
6166-25-1MIR6315Rattus norvegicusn-hexanal results in decreased expression of MIR6315 mRNA decreases^expression 26403475
6266-25-1MIR6317-1Rattus norvegicusn-hexanal results in decreased expression of MIR6317-1 mRNA decreases^expression 26403475
6366-25-1MIR6332Rattus norvegicusn-hexanal results in decreased expression of MIR6332 mRNA decreases^expression 26403475
6466-25-1MIR664-2Rattus norvegicusn-hexanal results in decreased expression of MIR664-2 mRNA decreases^expression 26403475
6566-25-1MIR667Rattus norvegicusn-hexanal results in decreased expression of MIR667 mRNA decreases^expression 26403475
6666-25-1MIR678Rattus norvegicusn-hexanal results in decreased expression of MIR678 mRNA decreases^expression 26403475
6766-25-1MIR7BRattus norvegicusn-hexanal results in decreased expression of MIR7B mRNA decreases^expression 26403475
6866-25-1MIRLET7F-1Rattus norvegicusn-hexanal results in decreased expression of MIRLET7F-1 mRNA decreases^expression 26403475
6966-25-1MYCHomo sapiensn-hexanal results in decreased expression of MYC mRNA decreases^expression 12921975
7066-25-1SCARNA3Rattus norvegicusn-hexanal results in decreased expression of SCARNA3 mRNA decreases^expression 26403475
7166-25-1SLC39A5Homo sapiensn-hexanal results in decreased expression of SLC39A5 mRNA decreases^expression 25014914
7266-25-1SNORA58Rattus norvegicusn-hexanal results in decreased expression of SNORA58 mRNA decreases^expression 26403475
7366-25-1TP53Homo sapiensn-hexanal results in decreased expression of TP53 mRNA decreases^expression 12921975
7466-25-1ADGRE2Homo sapiensn-hexanal results in increased expression of ADGRE2 mRNA increases^expression 25014914
7566-25-1ADH6Rattus norvegicusn-hexanal affects the expression of ADH6 mRNA affects^expression 26880647
7666-25-1AKR7A5Mus musculusAKR7A5 protein results in decreased susceptibility to n-hexanal decreases^response to substance 24590062
7766-25-1ALDH3A1Homo sapiensALDH3A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 11306050
7866-25-1ALDH3B1Homo sapiensALDH3B1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 20699116
7966-25-1ALDH3B1Homo sapiensn-hexanal binds to ALDH3B1 protein affects^binding 20699116
8066-25-1ALDH7A1Homo sapiensALDH7A1 protein results in decreased susceptibility to n-hexanal decreases^response to substance 21338592
8166-25-1B3GALT4Homo sapiensn-hexanal results in decreased expression of B3GALT4 mRNA decreases^expression 25014914
8266-25-1CA9Homo sapiensn-hexanal results in decreased expression of CA9 mRNA decreases^expression 25014914
8366-25-1CCL12Rattus norvegicusn-hexanal affects the expression of CCL12 mRNA affects^expression 26880647
8466-25-1CEBPDRattus norvegicusn-hexanal affects the expression of CEBPD mRNA affects^expression 26880647
8566-25-1CHGARattus norvegicusn-hexanal results in increased expression of CHGA mRNA increases^expression 26403475
8666-25-1CYP1A1Homo sapiensn-hexanal results in increased expression of CYP1A1 mRNA increases^expression 25014914
8766-25-1DDIT4Rattus norvegicusn-hexanal affects the expression of DDIT4 mRNA affects^expression 26880647
8866-25-1DHRS9Homo sapiensn-hexanal results in increased expression of DHRS9 mRNA increases^expression 25014914
8966-25-1KLF2Rattus norvegicusn-hexanal affects the expression of KLF2 mRNA affects^expression 26880647
9066-25-1MIR101ARattus norvegicusn-hexanal results in decreased expression of MIR101A mRNA decreases^expression 26403475
9166-25-1MIR1188Rattus norvegicusn-hexanal results in decreased expression of MIR1188 mRNA decreases^expression 26403475
9266-25-1MIR1224Rattus norvegicusn-hexanal results in decreased expression of MIR1224 mRNA decreases^expression 26403475
9366-25-1MIR1249Rattus norvegicusn-hexanal results in decreased expression of MIR1249 mRNA decreases^expression 26403475
9466-25-1MIR1306Rattus norvegicusn-hexanal results in decreased expression of MIR1306 mRNA decreases^expression 26403475
9566-25-1MIR132Rattus norvegicusn-hexanal results in increased expression of MIR132 mRNA increases^expression 26403475
9666-25-1MIR136Rattus norvegicusn-hexanal results in decreased expression of MIR136 mRNA decreases^expression 26403475
9766-25-1MIR145Rattus norvegicusn-hexanal results in decreased expression of MIR145 mRNA decreases^expression 26403475
9866-25-1MIR153Rattus norvegicusn-hexanal results in decreased expression of MIR153 mRNA decreases^expression 26403475
9966-25-1MIR181B1Rattus norvegicusn-hexanal results in decreased expression of MIR181B1 mRNA decreases^expression 26403475
10066-25-1MIR184Rattus norvegicusn-hexanal results in decreased expression of MIR184 mRNA decreases^expression 26403475
10166-25-1MIR188Rattus norvegicusn-hexanal results in decreased expression of MIR188 mRNA decreases^expression 26403475
10266-25-1MIR190Rattus norvegicusn-hexanal results in decreased expression of MIR190 mRNA decreases^expression 26403475
10366-25-1MIR193ARattus norvegicusn-hexanal results in decreased expression of MIR193A mRNA decreases^expression 26403475
10466-25-1MIR200ARattus norvegicusn-hexanal results in decreased expression of MIR200A mRNA decreases^expression 26403475
10566-25-1MIR201Rattus norvegicusn-hexanal results in decreased expression of MIR201 mRNA decreases^expression 26403475
10666-25-1MIR217Rattus norvegicusn-hexanal results in decreased expression of MIR217 mRNA decreases^expression 26403475
10766-25-1MIR221Rattus norvegicusn-hexanal results in decreased expression of MIR221 mRNA decreases^expression 26403475
10866-25-1MIR224Rattus norvegicusn-hexanal results in decreased expression of MIR224 mRNA decreases^expression 26403475
10966-25-1MIR292Rattus norvegicusn-hexanal results in decreased expression of MIR292 mRNA decreases^expression 26403475
11066-25-1MIR299Rattus norvegicusn-hexanal results in decreased expression of MIR299 mRNA decreases^expression 26403475
11166-25-1MIR29B2Rattus norvegicusn-hexanal results in decreased expression of MIR29B2 mRNA decreases^expression 26403475
11266-25-1MIR3075Rattus norvegicusn-hexanal results in decreased expression of MIR3075 mRNA decreases^expression 26403475
11366-25-1MIR3102Rattus norvegicusn-hexanal results in decreased expression of MIR3102 mRNA decreases^expression 26403475
11466-25-1MIR326Rattus norvegicusn-hexanal results in decreased expression of MIR326 mRNA decreases^expression 26403475
11566-25-1MIR327Rattus norvegicusn-hexanal results in decreased expression of MIR327 mRNA decreases^expression 26403475
11666-25-1MIR328BRattus norvegicusn-hexanal results in decreased expression of MIR328B mRNA decreases^expression 26403475
11766-25-1MIR337Rattus norvegicusn-hexanal results in decreased expression of MIR337 mRNA decreases^expression 26403475
11866-25-1MIR341Rattus norvegicusn-hexanal results in decreased expression of MIR341 mRNA decreases^expression 26403475
11966-25-1MIR3568Rattus norvegicusn-hexanal results in decreased expression of MIR3568 mRNA decreases^expression 26403475
12066-25-1MIR3582Rattus norvegicusn-hexanal results in decreased expression of MIR3582 mRNA decreases^expression 26403475
12166-25-1MIR3585Rattus norvegicusn-hexanal results in decreased expression of MIR3585 mRNA decreases^expression 26403475
12266-25-1MIR3594Rattus norvegicusn-hexanal results in decreased expression of MIR3594 mRNA decreases^expression 26403475
12366-25-1MIR376ARattus norvegicusn-hexanal results in decreased expression of MIR376A mRNA decreases^expression 26403475
12466-25-1MIR376CRattus norvegicusn-hexanal results in decreased expression of MIR376C mRNA decreases^expression 26403475
12566-25-1MIR381Rattus norvegicusn-hexanal results in decreased expression of MIR381 mRNA decreases^expression 26403475
12666-25-1MIR382Rattus norvegicusn-hexanal results in decreased expression of MIR382 mRNA decreases^expression 26403475
12766-25-1MIR411Rattus norvegicusn-hexanal results in decreased expression of MIR411 mRNA decreases^expression 26403475
12866-25-1MIR421Rattus norvegicusn-hexanal results in decreased expression of MIR421 mRNA decreases^expression 26403475
12966-25-1MIR425Rattus norvegicusn-hexanal results in decreased expression of MIR425 mRNA decreases^expression 26403475
13066-25-1MIR431Rattus norvegicusn-hexanal results in decreased expression of MIR431 mRNA decreases^expression 26403475
13166-25-1MIR433Rattus norvegicusn-hexanal results in decreased expression of MIR433 mRNA decreases^expression 26403475
13266-25-1MIR483Rattus norvegicusn-hexanal results in decreased expression of MIR483 mRNA decreases^expression 26403475
13366-25-1MIR541Rattus norvegicusn-hexanal results in decreased expression of MIR541 mRNA decreases^expression 26403475
13466-25-1MIR6315Rattus norvegicusn-hexanal results in decreased expression of MIR6315 mRNA decreases^expression 26403475
13566-25-1MIR6317-1Rattus norvegicusn-hexanal results in decreased expression of MIR6317-1 mRNA decreases^expression 26403475
13666-25-1MIR6332Rattus norvegicusn-hexanal results in decreased expression of MIR6332 mRNA decreases^expression 26403475
13766-25-1MIR664-2Rattus norvegicusn-hexanal results in decreased expression of MIR664-2 mRNA decreases^expression 26403475
13866-25-1MIR667Rattus norvegicusn-hexanal results in decreased expression of MIR667 mRNA decreases^expression 26403475
13966-25-1MIR678Rattus norvegicusn-hexanal results in decreased expression of MIR678 mRNA decreases^expression 26403475
14066-25-1MIR7BRattus norvegicusn-hexanal results in decreased expression of MIR7B mRNA decreases^expression 26403475
14166-25-1MIRLET7F-1Rattus norvegicusn-hexanal results in decreased expression of MIRLET7F-1 mRNA decreases^expression 26403475
14266-25-1MYCHomo sapiensn-hexanal results in decreased expression of MYC mRNA decreases^expression 12921975
14366-25-1SCARNA3Rattus norvegicusn-hexanal results in decreased expression of SCARNA3 mRNA decreases^expression 26403475
14466-25-1SLC39A5Homo sapiensn-hexanal results in decreased expression of SLC39A5 mRNA decreases^expression 25014914
14566-25-1SNORA58Rattus norvegicusn-hexanal results in decreased expression of SNORA58 mRNA decreases^expression 26403475
14666-25-1TP53Homo sapiensn-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 Caproic aldehyde
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