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Substance Name: Acetaldehyde phenethyl propyl acetal
RN: 7493-57-4
UNII: U811MB854I
InChIKey: FMYCPRQGKSONCP-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H20-O2

Molecular Weight

  • 208.299
 
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Names and Synonyms

Name of Substance

  • Acetaldehyde phenethyl propyl acetal

Synonyms

  • (2-(1-Propoxyethoxy)ethyl)benzene
  • 1-Phenethoxy-1-propoxyethane
  • Acetal R
  • Acetaldehyde phenylethyl propyl acetal
  • Acetaldehyde propyl phenylethyl acetal
  • Acetaldehyde, phenethyl propyl acetal
  • Benzene, (2-(1-propoxyethoxy)ethyl)-
  • EINECS 231-327-9
  • FEMA No. 2004
  • Pepital
  • Propyl phenethyl acetal
  • UNII-U811MB854I

Systematic Names

  • (2-(1-Propoxyethoxy)ethyl)benzene
  • Acetaldehyde, phenethyl propyl acetal
  • Benzene, (2-(1-propoxyethoxy)ethyl)-

Superlist Name

  • Acetaldehyde phenethyl propyl acetal

Registry Numbers

CAS Registry Number

  • 7493-57-4

FDA UNII

  • U811MB854I

System Generated Number

  • 0007493574

Structure Descriptors

InChI

1S/C13H20O2/c1-3-10-14-12(2)15-11-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3

InChIKey

FMYCPRQGKSONCP-UHFFFAOYSA-N

Smiles

c1(CCO[C@@H](OCCC)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 109S, 1992.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 30, Pg. 109S, 1992.