Skip Navigation
ChemIDplus Lite•Browse•Advanced

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
 
* 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

  • 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

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

InChIKey

SUVIGLJNEAMWEG-UHFFFAOYSA-N

Smiles

CCCS

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.