Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 22:56:47 UTC
Update Date2024-09-29 08:50:01 UTC
Metabolite IDMMDBc0054166
Metabolite Identification
Common Name2-ethylhexanal
Description2-ethylhexanal, also known as 3-formylheptane, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. 2-ethylhexanal is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
2-EthylcaproaldehydeChEBI
2-EthylhexaldehydeChEBI
2-Ethylhexan-1-alChEBI
2-EthylhexylaldehydeChEBI
3-FormylheptaneChEBI
alpha-EthylcaproaldehydeChEBI
alpha-EthylhexanalChEBI
beta-Propyl-alpha-ethylacroleinChEBI
Butyl ethyl acetaldehydeChEBI
ButylethylacetaldehydeChEBI
EthylbutylacetaldehydeChEBI
a-EthylcaproaldehydeGenerator
Α-ethylcaproaldehydeGenerator
a-EthylhexanalGenerator
Α-ethylhexanalGenerator
b-Propyl-a-ethylacroleinGenerator
Β-propyl-α-ethylacroleinGenerator
EHALDMeSH
Molecular FormulaC8H16O
Average Mass128.215
Monoisotopic Mass128.120115135
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
InChI KeyLGYNIFWIKSEESD-UHFFFAOYSA-N