9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol

Base Information

• Chemical Name: 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol
• CAS No.: 67989-24-6
• Molecular Formula: C23H44O3
• Molecular Weight: 368.5937
• European Community (EC) Number: 268-008-9
• DSSTox Substance ID: DTXSID2028355
• Wikidata: Q76386419

Synonyms:Neopentyl glycol oleate;9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol;EINECS 268-008-9;67989-24-6;9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol;3-hydroxy-2,2-dimethylpropyl (9Z)-octadec-9-enoate;SCHEMBL1375238;DTXSID2028355;W-111312;9-Octadecenoic acid, ester with 2,2-dimethyl-1,3-propanediol, (Z)-

Chemical Property of 9-Octadecenoic acid (9Z)-, ester with 2,2-dimethyl-1,3-propanediol

Chemical Property:

• Vapor Pressure: 1.2E-09mmHg at 25°C
• Boiling Point: 441.4°C at 760 mmHg
• Flash Point: 159.2°C
• Density: 0.914g/cm³
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 368.32904526
• Heavy Atom Count: 26
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C)(C)CO
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)CO

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