4-Methyldecanoic acid
Basic information
- CAS
24323-24-8- Standard SMILES
CCCCCCC(C)CCC(=O)O- InChIKey
NODQTVSOELONGZ-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
4-methyl-decanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 4-Methyldecanoic acid
- IUPAC
- 4-methyldecanoic acid
- English name
- Decanoic acid, 4-methyl-
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
4-Methyldecanoic acid24323-24-8DTXSID50332707RefChem:525583DTXCID902838004-methyl-decanoic acid4-methyl decanoic acidSCHEMBL128124SCHEMBL8812279CHEBI:179398NODQTVSOELONGZ-UHFFFAOYSA-NLMFA01020183
Show more names
Decanoic acid, 4-methyl-
NS00123821
Database identifiers
- CAS
24323-24-8- PubChem CID
- 459849
- DTXSID
DTXSID50332707- ChEBI
CHEBI:179398
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- FLAVIS Number
- 8.094 · 08.094 | 4-Methyldecanoic acid
- LogP
- 4.108 · 4.108 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Decanoic acid, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Additional notes
DefinitionChEBI: 4-methyl-decanoic acid is a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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