Isooctyl thioglycolate

Base Information

• Chemical Name: Isooctyl thioglycolate
• CAS No.: 106-76-3
• Deprecated CAS: 1335-90-6,30523-03-6,623941-43-5
• Molecular Formula: C₁₀H₂₀O₂S
• Molecular Weight: 204.334
• European Community (EC) Number: 246-613-9
• UNII: 3404M9ZDTB
• DSSTox Substance ID: DTXSID20274221
• Nikkaji Number: J71.008C
• Wikidata: Q27256307
• ChEMBL ID: CHEMBL1889775

Synonyms:ISOOCTYL THIOGLYCOLATE;25103-09-7;Isooctyl mercaptoacetate;6-methylheptyl 2-sulfanylacetate;Acetic acid, mercapto-, isooctyl ester;6-Methylheptyl 2-mercaptoacetate;Isooctyl 2-mercaptoacetate;106-76-3;UNII-3404M9ZDTB;3404M9ZDTB;HSDB 2704;Mercaptoacetic acid, isooctyl ester;NSC 9590;EINECS 246-613-9;Acetic acid, mercapto- isooctyl ester;Acetic acid, 2-mercapto-, isooctyl ester;AI3-26088;EC 246-613-9;Thioglycolic Acid Isooctyl Ester;Mercaptoacetic Acid Isooctyl Ester;iso-octyl thioglycolate;DSSTox_CID_7841;DSSTox_RID_78587;DSSTox_GSID_27841;SCHEMBL35880;6-Methylheptyl sulfanylacetate;6-Methylheptyl2-mercaptoacetate;CHEMBL1889775;6-Methylheptyl sulfanylacetate #;DTXSID20274221;NSC-9590;Tox21_303417;ISOOCTYL THIOGLYCOLATE [HSDB];ISOOCTYL THIOGLYCOLATE [INCI];MFCD00022088;AKOS024333969;ISOOCTYL ALCOHOL, MERCAPTOACETATE;NCGC00164196-01;NCGC00257485-01;AS-10359;CAS-25103-09-7;FT-0627440;BUTYLDODECYLTIN BIS(ISOOCTYLTHIOGLYCOLATE);A877708;Q27256307

Chemical Property of Isooctyl thioglycolate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 204.11840105
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Thioglycolates
• Canonical SMILES: CC(C)CCCCCOC(=O)CS

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