Basic information
- CAS
6299-66-7- Standard SMILES
CCC(CC)CCC(=O)O- InChIKey
KJYXVWHRKCNYKU-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Overview
4-ethyl-hexanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 4-Ethylhexanoic acid
- IUPAC
- 4-ethylhexanoic acid
- English name
- Hexanoic acid, 4-ethyl-
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
4-ETHYLHEXANOIC ACIDHexanoic acid, 4-ethyl-6299-66-7COT3ZV32XSNSC-44869DTXSID80212200RefChem:1070664DTXCID401346914-ethyl-hexanoic acidNSC 44869MFCD008708464-Ethyl-hexansaeure
Show more names
Hexanoic acid,4-ethyl-UNII-COT3ZV32XSSCHEMBL237623SCHEMBL1009649SCHEMBL20490059CHEBI:179955NSC44869LMFA01020149
Database identifiers
- CAS
6299-66-7- PubChem CID
- 22734
- DTXSID
DTXSID80212200- ChEBI
CHEBI:179955- UNII
- COT3ZV32XS
- Nikkaji
- J641.454K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.4
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Boiling point
- 228.91 °C · 228.91°C (estimate)
- Density
- 0.9173 · 0.9173 (rough estimate)
- refractive index
- 1.4128 · 1.4128 (estimate)
- FDA UNII
- 3 ZV32XS · COT3ZV32XS
Chemistry & industry
Suppliers9 total
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Additional notes
DefinitionChEBI: 4-ethyl-hexanoic acid is a medium-chain fatty acid.
Related reactions
5 records
Compound notes
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