8-Methyldecanoic acid
Basic information
- CAS
5601-60-5- Standard SMILES
CCC(C)CCCCCCC(=O)O- InChIKey
WGKCPRZDCLXOIQ-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
8-methyl-decanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 8-Methyldecanoic acid
- IUPAC
- 8-methyldecanoic acid
- English name
- 8-METHYLDECANOIC ACID
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
8-methyldecanoic acid5601-60-5Decanoic acid, 8-methyl-ANTEISOUNDECANOIC ACID8-methyl-decanoic acidEV00F6FM94DTXSID20863578RefChem:107269DTXCID50812175MFCD022586768-methyl decanoic acidxi-8-Methyldecanoic acid
Show more names
AI-UNDECANOIC ACIDUNII-EV00F6FM94SCHEMBL1333429CHEBI:179377WGKCPRZDCLXOIQ-UHFFFAOYSA-NCAPRIC ACID, .ETA.-METHYL-LMFA01020187AKOS006279688
Database identifiers
- CAS
5601-60-5- PubChem CID
- 21813
- DTXSID
DTXSID20863578- ChEBI
CHEBI:179377- UNII
- EV00F6FM94
- Nikkaji
- J1.243.496K
Properties
Computed structural properties
- XLogP
- 4.4
- 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
- Boiling point
- 278.57 °C · 278.57°C (estimate)
- Density
- 0.8978 · 0.8978 (rough estimate)
- refractive index
- 1.4221 · 1.4221 (estimate)
- FLAVIS Number
- 8.095 · 08.095 | 8-Methyldecanoic acid
- LogP
- 4.108 · 4.108 (est)
- FDA UNII
- 0 F6FM94 · EV00F6FM94
- EPA Substance Registry System
- 8 · Decanoic acid, 8-methyl- (5601-60-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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, 8-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: 8-methyl-decanoic acid is a medium-chain fatty acid.
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Compound notes
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