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Substance Name: Acetic acid, 3-hydroxyheptyl ester
RN: 39920-56-4
InChIKey: WFLFWEJJPIIYBD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H18-O3

Molecular Weight

  • 174.238
 
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Names and Synonyms

Synonyms

  • 1-Ethylamylester kyseliny octove
  • 1-Ethylamylester kyseliny octove [Czech]
  • Acetic acid, 3-heptanol ester

Systematic Name

  • Acetic acid, 3-hydroxyheptyl ester

Registry Numbers

CAS Registry Number

  • 39920-56-4

System Generated Number

  • 0039920564

Structure Descriptors

InChI

1S/C9H18O3/c1-3-4-5-9(11)6-7-12-8(2)10/h9,11H,3-7H2,1-2H3

InChIKey

WFLFWEJJPIIYBD-UHFFFAOYSA-N

Smiles

C([C@@H](CCCC)O)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 8350mg/kg (8350mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.