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Substance Name: Propyl mercaptan
RN: 107-03-9
UNII: 4AB0N08V2H
InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C3-H8-S

Molecular Weight

  • 76.1622
 
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Names and Synonyms

Name of Substance

  • Propanethiol
  • Propyl mercaptan

Synonyms

  • 1-Mercaptopropane
  • 1-Propyl mercaptan
  • 1-Propylmercaptan
  • 4-01-00-01449 (Beilstein Handbook Reference)
  • BRN 1696860
  • CCRIS 1246
  • EINECS 203-455-5
  • FEMA No. 3521
  • HSDB 1037
  • n-Propyl mercaptan
  • n-Propylmercaptan
  • n-Propylthiol
  • n-Thiopropyl alcohol
  • Propane-1-thiol
  • Propanethiol
  • Propyl mercaptan
  • Propylthiol
  • Thiopropyl alcohol
  • UNII-4AB0N08V2H

Systematic Name

  • 1-Propanethiol

Superlist Names

  • 1-Propanethiol
  • n-Propyl mercaptan
  • Propanethiol
  • Propyl mercaptan

Registry Numbers

CAS Registry Number

  • 107-03-9

FDA UNII

  • 4AB0N08V2H

Related Registry Number

  • 6898-84-6 (hydrochloride salt)

System Generated Number

  • 0000107039

Structure Descriptors

InChI

1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

InChIKey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Smiles

C(CS)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 4010ppm/4H (4010ppm) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LC50 inhalation 7300ppm/4H (7300ppm) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 intraperitoneal 515mg/kg (515mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 oral 1790mg/kg (1790mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.13E+02 deg C   EXP
Boiling Point 67.8 deg C   EXP
log P (octanol-water) 1.81 (none)   EXP
Water Solubility 1900 mg/L 25 EXP
Vapor Pressure 154 mm Hg 25 EXP
Henry's Law Constant 8.12E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.83E-11 cm3/molecule-sec 25 EXP

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