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Substance Name: 2-(Octylthio)ethanol
RN: 3547-33-9
UNII: 3G5X52121W
InChIKey: KXPXKNBDCUOENF-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant

Molecular Formula

  • C10-H22-O-S

Molecular Weight

  • 190.349
 
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Names and Synonyms

Name of Substance

  • 2-(Octylthio)ethanol

Synonyms

  • 2-(Octylthio)ethanol
  • 2-(Oktylthio)ethanol
  • 2-(Oktylthio)ethanol [Czech]
  • 2-Hydroxyethyl n-octyl sulfide
  • 2-Hydroxyethyl octyl sulfide
  • 2-Hydroxyethyl-n-octyl sulfide
  • 4-01-00-02434 (Beilstein Handbook Reference)
  • AI3-24828
  • BRN 1698968
  • Caswell No. 489B
  • EC 222-598-4
  • EINECS 222-598-4
  • EPA Pesticide Chemical Code 046301
  • MGK 874
  • MGK R-874
  • MGK repellent 874
  • MGK repellent R-874
  • NSC 163967
  • R 874
  • R-874
  • R-874 phillips
  • UNII-3G5X52121W

Systematic Names

  • 2-(Octylthio)ethanol
  • Ethanol, 2-(octylthio)-

Superlist Name

  • 2-Hydroxyethyl octyl sulfide

Registry Numbers

CAS Registry Number

  • 3547-33-9

FDA UNII

  • 3G5X52121W

System Generated Number

  • 0003547339

Structure Descriptors

InChI

1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3

InChIKey

KXPXKNBDCUOENF-UHFFFAOYSA-N

Smiles

C(CCSCCO)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 13590mg/kg (13590mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 196, 1976.
rat LD50 oral 8530mg/kg (8530mg/kg)   Pesticide Manual. Vol. 9, Pg. 628, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
log P (octanol-water) 3.64 (none)   EXP
Water Solubility 38.1 mg/L 25 EST
Vapor Pressure 5.93E-04 mm Hg 25 EXP
Henry's Law Constant 2.77E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.22E-11 cm3/molecule-sec 25 EST

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