Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isooctyl thioglycolate
RN: 25103-09-7
UNII: 3404M9ZDTB
InChIKey: RZBBHEJLECUBJT-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2-S

Molecular Weight

  • 204.332
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Acetic acid, mercapto- isooctyl ester
  • Isooctyl mercaptoacetate
  • Isooctyl thioglycolate
  • Mercaptoacetic acid, isooctyl ester

Synonyms

  • Acetic acid, mercapto-, isooctyl ester
  • AI3-26088
  • EC 246-613-9
  • EINECS 246-613-9
  • HSDB 2704
  • Isooctyl mercaptoacetate
  • Isooctyl thioglycolate
  • NSC 9590
  • UNII-3404M9ZDTB

Systematic Names

  • Acetic acid, 2-mercapto-, isooctyl ester
  • Acetic acid, mercapto-, isooctyl ester
  • Isooctyl mercaptoacetate

Superlist Name

  • Acetic acid, mercapto-, isooctyl ester

Registry Numbers

CAS Registry Number

  • 25103-09-7

FDA UNII

  • 3404M9ZDTB

Other Registry Numbers

  • 1335-90-6
  • 30523-03-6
  • 623941-43-5

System Generated Number

  • 0025103097

Structure Descriptors

InChI

1S/C10H20O2S/c1-9(2)6-4-3-5-7-12-10(11)8-13/h9,13H,3-8H2,1-2H3

InChIKey

RZBBHEJLECUBJT-UHFFFAOYSA-N

Smiles

CC(C)CCCCCOC(=O)CS

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 1200mg/kg (1200mg/kg)   Journal of Economic Entomology. Vol. 48, Pg. 139, 1955.
rat LD50 oral 348mg/kg (348mg/kg)   Tin Research Institute, Publication. Vol. -, Pg. 1, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.680 (none)   EST
Atmospheric OH Rate Constant 4.50E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.