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Substance Name: 2-Hydroxyethyl cyclohexanecarboxylate
RN: 16179-44-5
InChIKey: HNBNKZUJQWPLIO-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxyethyl cyclohexanecarboxylate

Synonyms

  • 2-Hydroxyethyl cyclohexanecarboxylate
  • AI3-70087
  • BRN 1942103
  • EINECS 240-315-2

Systematic Names

  • 2-Hydroxyethyl cyclohexanecarboxylate
  • Cyclohexanecarboxylic acid, (2-hydroxyethyl) ester

Registry Numbers

CAS Registry Number

  • 16179-44-5

System Generated Number

  • 0016179445

Structure Descriptors

InChI

1S/C9H16O3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h8,10H,1-7H2

InChIKey

HNBNKZUJQWPLIO-UHFFFAOYSA-N

Smiles

C(=O)(C1CCCCC1)OCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3200uL/kg (3.2mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin > 9400uL/kg (9.4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LDLo intravenous 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD-A022-908,
rat LDLo oral 2874mg/kg (2874mg/kg)   National Technical Information Service. Vol. AD-A022-908,