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Substance Name: Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester
RN: 4799-59-1
InChIKey: UAOUVRJFXPPTHR-UHFFFAOYSA-N

Molecular Formula

  • C12-H19-O4-P-S

Molecular Weight

  • 290.318
 
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Names and Synonyms

Synonyms

  • BRN 1985615
  • O,O-Diethyl O-(3-methyl-4-(methylthio)phenyl)phosphate
  • O,O-Diethyl O-(4-(methylthio)-m-tolyl)phosphate

Systematic Name

  • Phosphoric acid, diethyl 4-(methylthio)-m-tolyl ester

Registry Numbers

CAS Registry Number

  • 4799-59-1

System Generated Number

  • 0004799591

Structure Descriptors

InChI

1S/C12H19O4PS/c1-5-14-17(13,15-6-2)16-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3

InChIKey

UAOUVRJFXPPTHR-UHFFFAOYSA-N

Smiles

O=P(OCC)(OCC)Oc1cc(C)c(SC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 5700ug/kg (5.7mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 107, Pg. 908, 1961.
rat LD50 oral 9mg/kg (9mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 107, Pg. 908, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.28 (none)   EXP
Water Solubility 22.1 mg/L 25 EST
Vapor Pressure 8.96E-06 mm Hg 25 EST
Henry's Law Constant 5.22E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.11E-11 cm3/molecule-sec 25 EST

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