17-Hydroxy-heptadecanoic acid
Basic information
- CAS
13099-34-8- Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCO- InChIKey
JHRQMZPLCYCFPI-UHFFFAOYSA-N- Molecular formula
- C17H34O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.25079494
Overview
17-hydroxymargaric acid is an -hydroxy-long-chain fatty acid that is heptadecanoic acid (margaric acid) in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It is functionally related to a heptadecanoic acid.
Names & identifiers
- Preferred name
- 17-Hydroxy-heptadecanoic acid
- IUPAC
- 17-hydroxyheptadecanoic acid
- English name
- 17-Hydroxyheptadecanoic acid
- Molecular formula
- C17H34O3
- Molecular weight
- 286.45
Names & synonyms
17-hydroxy-heptadecanoic acidRefChem:105762117-hydroxyheptadecanoic acid13099-34-817-hydroxymargaric acidHeptadecanoic acid, 17-hydroxy-17-Hydroxy heptadecanoic acidomega-hydroxyheptadecanoic acid17-HYDROXYHEPTADECANOICACIDomega-hydroxymargaric acidMFCD00506157SCHEMBL506393
Show more names
ω-Hydroxyheptadecanoic acidOMEGA-HYDROXY C17:0 FATTY ACID
MEGxp0_000326DTXSID60401791LMFA01050053AKOS003238396BS-51053Q27148242orb2283083SCHEMBL1006395
Database identifiers
- CAS
13099-34-8- PubChem CID
- 4308451
- DTXSID
DTXSID60401791- ChEBI
CHEBI:79177- Nikkaji
- J297.104F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physicochemical properties
- Melting point
- 87.5 · 87.5-88.0 °C
- Boiling point
- 427.8 · 427.8±18.0 °C(Predicted)
- Density
- 0.95 · 0.950±0.06 g/cm3(Predicted)
- solubility
- Chloroform: soluble; Ethanol: soluble upon heating; Ethyl ether: soluble
- form
- A solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses17-Hydroxyheptadecanoic Acid, is a hydroxylated fatty acid that has been found in aeolian particles collected on the Frioul Islands and in the outer bark of E. globulus.
Additional notes
DefinitionChEBI: 17-hydroxymargaric acid is an omega-hydroxy-long-chain fatty acid that is heptadecanoic acid (margaric acid) in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It is functionally related to a heptadecanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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