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Substance Name: 1-Dodecanethiol
RN: 112-55-0
UNII: S8ZJB6X253
InChIKey: WNAHIZMDSQCWRP-UHFFFAOYSA-N

Note

  • Used in polymerization of neoprenes.

Classification Code

  • Mutation Data

Molecular Formula

  • C12-H26-S

Molecular Weight

  • 202.4034
 
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Names and Synonyms

Name of Substance

  • 1-Dodecanethiol
  • Dodecylmercaptan

Synonyms

  • 1-Dodecyl mercaptan
  • 1-Mercaptododecane
  • 4-01-00-01851 (Beilstein Handbook Reference)
  • AI3-07577
  • BRN 0969337
  • CCRIS 743
  • Dodecanethiol
  • Dodecyl mercaptan
  • Dodecyl mercaptan (VAN)
  • EC 203-984-1
  • EINECS 203-984-1
  • HSDB 1074
  • Lauryl mercaptan
  • Lauryl mercaptide
  • M-Dodecyl mercaptan
  • M-Lauryl mercaptan
  • n-Dodecanethiol
  • n-Dodecyl mercaptan
  • n-Lauryl mercaptan
  • NCI-C60935
  • NSC 814
  • Pennfloat M
  • Pennfloat S
  • UNII-S8ZJB6X253

Systematic Names

  • 1-Dodecanethiol
  • Dodecane-1-thiol
  • N-Dodecylmercaptan

Superlist Names

  • 1-Dodecanethiol
  • Dodecyl mercaptan

Registry Numbers

CAS Registry Number

  • 112-55-0

FDA UNII

  • S8ZJB6X253

System Generated Number

  • 0000112550

Structure Descriptors

InChI

1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChIKey

WNAHIZMDSQCWRP-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCCCCS

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+00 deg C   EXP
Boiling Point 274 deg C   EXP
log P (octanol-water) 6.180 (none)   EST
Water Solubility 0.225 mg/L 25 EST
Vapor Pressure 0.00853 mm Hg 25 EXP
Henry's Law Constant 0.059 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.55E-11 cm3/molecule-sec 25 EST

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