9-Octadecenoic acid (9Z)-, 2-((2-hydroxyethyl)thio)ethyl ester

Base Information

• Chemical Name: 9-Octadecenoic acid (9Z)-, 2-((2-hydroxyethyl)thio)ethyl ester
• CAS No.: 72230-96-7
• Molecular Formula: C22H42O3S
• Molecular Weight: 386.64
• DSSTox Substance ID: DTXSID2072542
• Wikidata: Q76389845
• Mol file: 72230-96-7.mol

Synonyms:Thiodiglycol oleate;72230-96-7;9-Octadecenoic acid (9Z)-, 2-((2-hydroxyethyl)thio)ethyl ester;9-Octadecenoic acid (9Z)-, 2-[(2-hydroxyethyl)thio]ethyl ester;C22H42O3S;C22-H42-O3-S;9-Octadecenoic acid (Z)-, 2-[(2-hydroxyethyl)thio]ethyl ester;DTXSID2072542

Chemical Property of 9-Octadecenoic acid (9Z)-, 2-((2-hydroxyethyl)thio)ethyl ester

Chemical Property:

• Vapor Pressure: 5.27E-12mmHg at 25°C
• Boiling Point: 498°C at 760 mmHg
• Flash Point: 255°C
• PSA: 71.83000
• Density: 0.965g/cm³
• LogP: 6.29260
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 386.28546637
• Heavy Atom Count: 26
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCSCCO
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCCSCCO