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Substance Name: tert-Amylthiol
RN: 1679-09-0
UNII: 26IU670827
InChIKey: IQIBYAHJXQVQGB-UHFFFAOYSA-N

Molecular Formula

  • C5-H12-S

Molecular Weight

  • 104.216
 
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Names and Synonyms

Name of Substance

  • tert-Amylthiol

Synonyms

  • 2-Methybutane-2-thiol
  • 2-Methyl-2-butanethiol
  • 2-tert-Pentyl mercaptan
  • EINECS 216-843-4
  • NSC 60251
  • tert-Amyl mercaptan
  • tert-Pentyl mercaptan
  • UNII-26IU670827

Systematic Names

  • 2-Butanethiol, 2-methyl-
  • 2-Methylbutane-2-thiol

Registry Numbers

CAS Registry Number

  • 1679-09-0

FDA UNII

  • 26IU670827

System Generated Number

  • 0001679090

Structure Descriptors

InChI

1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3

InChIKey

IQIBYAHJXQVQGB-UHFFFAOYSA-N

Smiles

C(CC)(C)(C)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 20gm/m3/1H (20000mg/m3) BEHAVIORAL: ATAXIA National Technical Information Service. Vol. OTS0571997,
rat LD skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0571997,
rat LDLo oral 5gm/kg (5000mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0571997,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 99.1 deg C   EXP
log P (octanol-water) 2.630 (none)   EST
Water Solubility 645 mg/L 25 EST
Henry's Law Constant 8.12E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.42E-11 cm3/molecule-sec 25 EST

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