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Substance Name: 1,3-Butadienyl acetate
RN: 1515-76-0
UNII: N96404R1FH
InChIKey: NMQQBXHZBNUXGJ-SNAWJCMRSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H8-O2

Molecular Weight

  • 112.127
 
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Names and Synonyms

Name of Substance

  • 1,3-Butadienyl acetate

Synonyms

  • 1,3-Butadienylester kyseliny octove
  • 1,3-Butadienylester kyseliny octove [Czech]
  • 1-Acetoxy-1,3-butadiene
  • 3-02-00-00295 (Beilstein Handbook Reference)
  • Acetic acid, 1,3-butadienyl ester
  • BRN 1743394
  • EINECS 216-159-6
  • UNII-N96404R1FH

Systematic Names

  • 1,3-Butadien-1-ol, acetate
  • 1,3-Butadienyl acetate

Registry Numbers

CAS Registry Number

  • 1515-76-0

FDA UNII

  • N96404R1FH

System Generated Number

  • 0001515760

Structure Descriptors

InChI

1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+

InChIKey

NMQQBXHZBNUXGJ-SNAWJCMRSA-N

Smiles

O(\C=C\C=C)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 420uL/kg (0.42mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 63ppm/4H (63ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 710mg/kg (710mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.