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Substance Name: Mercaptoethyl caproate
RN: 22909-86-0
InChIKey: LSZCIZOHKPPEJD-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O2-S

Molecular Weight

  • 176.278
 
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Names and Synonyms

Name of Substance

  • Mercaptoethyl caproate

Synonyms

  • 2-Mercaptoethyl caproate
  • 2-Mercaptoethyl hexanoate
  • Mercaptoethyl caproate
  • Thioethyl caproate

Systematic Name

  • Hexanoic acid, 2-mercaptoethyl ester

Registry Numbers

CAS Registry Number

  • 22909-86-0

System Generated Number

  • 0022909860

Structure Descriptors

InChI

1S/C8H16O2S/c1-2-3-4-5-8(9)10-6-7-11/h11H,2-7H2,1H3

InChIKey

LSZCIZOHKPPEJD-UHFFFAOYSA-N

Smiles

C(C(OCCS)=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 180mg/kg (180mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 79, 1982.