Isooctyl 2,3-dihydroxypropylthioacetate

Base Information

• Chemical Name: Isooctyl 2,3-dihydroxypropylthioacetate
• CAS No.: 54575-17-6
• Molecular Formula: C13H26 O4 S
• Molecular Weight: 278.40814
• European Community (EC) Number: 259-240-1
• DSSTox Substance ID: DTXSID00969820
• Nikkaji Number: J429.259F
• Mol file: 54575-17-6.mol

Synonyms:54575-17-6;Acetic acid, ((2,3-dihydroxypropyl)thio)-, isooctyl ester;Acetic acid, [(2,3-dihydroxypropyl)thio]-, isooctyl ester;Isooctyl 2,3-dihydroxypropylthioacetate;EINECS 259-240-1;SCHEMBL11108728;DTXSID00969820;Acetic acid, 2-((2,3-dihydroxypropyl)thio)-, isooctyl ester;Isooctyl[(2,3-dihydroxypropyl)thio]acetate;Isooctyl ((2,3-dihydroxypropyl)thio)acetate;6-methylheptyl [(2,3-dihydroxypropyl)sulfanyl]acetate

Chemical Property of Isooctyl 2,3-dihydroxypropylthioacetate

Chemical Property:

• Vapor Pressure: 1.91E-08mmHg at 25°C
• Boiling Point: 410.3°C at 760 mmHg
• Flash Point: 201.9°C
• Density: 1.086g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 278.15518048
• Heavy Atom Count: 18
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCCOC(=O)CSCC(CO)O

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