(9E)-12-hydroxyoctadec-9-enoic acid

Base Information

• Chemical Name: (9E)-12-hydroxyoctadec-9-enoic acid
• CAS No.: 61789-44-4
• Molecular Formula: C18H34O3
• Molecular Weight: 298.46
• European Community (EC) Number: 263-060-9
• NSC Number: 179694
• Nikkaji Number: J452.982K
• Wikidata: Q27158677
• Metabolomics Workbench ID: 2186
• ChEMBL ID: CHEMBL1877670
• Mol file: 61789-44-4.mol

Synonyms:12-D-hydroxy-9-trans-octadecenoic acid;12-hydroxy-9-octadecenic acid;12-hydroxy-9-octadecenoic acid;12-hydroxyoctadec-cis-9-enoic acid;9-octadecenoic acid, 12-hydroxy-, (9E,12R)-;ricinelaidic acid;ricinoleic acid;ricinoleic acid, (R-(E))-isomer

Chemical Property of (9E)-12-hydroxyoctadec-9-enoic acid

Chemical Property:

• PSA: 57.53000
• Density: 0.940 g/mL at 20oC(lit.)
• LogP: 5.07930
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 298.25079494
• Heavy Atom Count: 21
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)O)O
• Isomeric SMILES: CCCCCCC(C/C=C/CCCCCCCC(=O)O)O