2-Hydroxynonanoic acid
Basic information
- CAS
70215-04-2- Standard SMILES
CCCCCCCC(O)C(=O)O- InChIKey
BTJFTHOOADNOOS-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Overview
2-hydroxynonanoic acid is a monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to a nonanoic acid.
Names & identifiers
- Preferred name
- 2-Hydroxynonanoic acid
- IUPAC
- 2-hydroxynonanoic acid
- English name
- (+/-)-2-HYDROXYNONANOIC ACID
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
2-hydroxynonanoic acid70215-04-22-hydroxy pelargonic acid2-hydroxy-nonanoic acidCHEBI:73753DTXSID304152442-hydroxynonanoate2-Hydroxy pelargonateRefChem:87590DTXCID80366095alpha-hydroxynonanoic acid15896-36-3
Show more names
ALPHA-HYDROXY NONANOIC ACID(+/-)-2-HYDROXYNONANOIC ACID
2-hydroxypelargonic acid(+/-)-2-Hydroxyninanoic acidhydroxynonanoic acidNonanoic acid, 2-hydroxy-SCHEMBL338215SCHEMBL1006544SCHEMBL4113120LMFA01050024
Database identifiers
- CAS
70215-04-2- PubChem CID
- 5282897
- DTXSID
DTXSID30415244- ChEBI
CHEBI:73753- EC Number
- 980-370-6
- Nikkaji
- J262.012J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-hydroxynonanoic acid is a monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It is functionally related to a nonanoic acid.
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Compound notes
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