Basic information
- CAS
624-01-1- Standard SMILES
CCCCCC(=O)CCCC(=O)O- InChIKey
SDKDCMWTAOZNGB-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Overview
5-oxo capric acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 5-Oxodecanoic acid
- IUPAC
- 5-oxodecanoic acid
- English name
- 5-Oxodecanoic acid
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
5-Oxodecanoic acid624-01-1Decanoic acid, 5-oxo-FG73L9Q17XFEMA NO. 4456DTXSID50211447RefChem:537607DTXCID501339385-oxo capric acidMFCD013201655-oxo-decanoic acid5-oxo-1-decanoic acid
Show more names
5-Oxocapric acid5-Ketocapric acid
UNII-FG73L9Q17X5-Oxodecanoicacidorb1986692SCHEMBL4617554CHEBI:180135LMFA01060030AKOS006277610NS00125254
Database identifiers
- CAS
624-01-1- PubChem CID
- 69346
- DTXSID
DTXSID50211447- ChEBI
CHEBI:180135- UNII
- FG73L9Q17X
- Nikkaji
- J206.114G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Very slightly soluble in water
Soluble (in ethanol)
Physical DescriptionClear colourless to yellow solid; Rich creamy peach-like aroma
Physicochemical properties
- Melting point
- 56.4 °C · 56.4 °C
- Boiling point
- 155 · 155-161 °C(Press: 2 Torr)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- FEMA
- 4456 · 4456 | 5-OXODECANOIC ACID
- pka
- 4.62 · 4.62±0.10(Predicted)
- Odor
- 10 % · at 10.00 % in propylene glycol. creamy peach
- Odor Type
- peach
- JECFA Number
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [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]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: 5-oxo capric acid is a medium-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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