3-Hydroxyoctanoic acid
Basic information
- CAS
120659-38-3- Standard SMILES
CCCCCC(O)CC(=O)O- InChIKey
NDPLAKGOSZHTPH-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Overview
3-hydroxyoctanoic acid is an 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves. It is a 3-hydroxy monocarboxylic acid, a medium-chain fatty acid and a 3-hydroxy fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a 3-hydroxyoctanoate.
Names & identifiers
- Preferred name
- 3-Hydroxyoctanoic acid
- IUPAC
- 3-hydroxyoctanoic acid
- English name
- poly(3-hydroxyoctanoic acid)
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21084
Names & synonyms
3-HYDROXYOCTANOIC ACID14292-27-43-hydroxycaprylic acidOctanoic acid, 3-hydroxy-3-hydroxy-octanoic acidbeta-hydroxyoctanoic acidCHEBI:370988M44B02CSJDTXSID00864487RefChem:911418DTXCID30812996872-032-0
Show more names
poly(3-hydroxyoctanoic acid)
88930-08-9(+/-)-3-Hydroxyoctanoic acid3-hydroxy caprylic acidMFCD00133277DL-beta-Hydroxycaprylic acid3-OH octanoic acid3-OH-caprylic acidbeta-OH-caprylic acid
Database identifiers
- CAS
120659-38-3、14292-27-4- PubChem CID
- 26613
- DTXSID
DTXSID00864487- ChEMBL
CHEMBL6173005- ChEBI
CHEBI:37098- UNII
- 8M44B02CSJ
- EC Number
- 872-032-0
- Nikkaji
- J262.007C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - MISCELLANEOUS
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Octanoic acid, 3-hydroxy-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Applications
DescriptionPoly(3-Hydroxyoctanoic Acid) is the polymer of 3-hydroxyoctanoic acid produced through fermentation
Additional notes
DefinitionChEBI: 3-hydroxyoctanoic acid is an 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves. It is a 3-hydroxy monocarboxylic acid, a 3-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to an octanoic acid. It is a conjugate acid of a 3-hydroxyoctanoate.
Related reactions
2 records
Compound notes
Loading…