2-Hydroxyundecanoic acid
Basic information
- CAS
19790-86-4- Standard SMILES
CCCCCCCCCC(O)C(=O)O- InChIKey
MNRBGFKCVTVNBA-UHFFFAOYSA-N- Molecular formula
- C11H22O3
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.15689456
Overview
2-Hydroxyundecanoate is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 2-Hydroxyundecanoic acid
- IUPAC
- 2-hydroxyundecanoic acid
- English name
- (+/-)-2-HYDROXYUNDECANOIC ACID
- Molecular formula
- C11H22O3
- Molecular weight
- 202.29
Names & synonyms
2-hydroxyundecanoic acid19790-86-4DTXSID90415245RefChem:473529DTXCID40366096862-522-2(+/-)-2-Hydroxyundecanoic acidUndecanoic acid, 2-hydroxy-2-hydroxy hendecanoic acid2-hydroxyundecanoate2-hydroxy-undecanoic acidmonohydroxyhendecanoic acid
Show more names
SCHEMBL275367SCHEMBL1007208CHEBI:178413LMFA01050034MFCD00210307AKOS015154773EN300-1844819Z1269030530
Database identifiers
- CAS
19790-86-4- PubChem CID
- 5282899
- DTXSID
DTXSID90415245- ChEBI
CHEBI:178413- EC Number
- 862-522-2
- Nikkaji
- J262.029D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 333.8 · 333.8±15.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 3.86 · 3.86±0.21(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2-Hydroxyundecanoate is a medium-chain fatty acid.
Suppliers
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Related reactions
0 records
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Compound notes
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