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Substance Name: 1-Methoxy-1,3-butadiene
RN: 3036-66-6
UNII: 45C05L2K30
InChIKey: KOCUMXQOUWPSLK-SNAWJCMRSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • 1-Methoxy-1,3-butadiene

Synonyms

  • 1,3-Butadiene, 1-methoxy-
  • 1,3-Butadienyl methyl ether
  • 1-Methoxy-1,3-butadiene
  • 1-Methoxybutadiene
  • AI3-25334
  • EINECS 221-234-1
  • NSC 9182
  • UNII-45C05L2K30

Systematic Names

  • 1,3-Butadiene, 1-methoxy-
  • Buta-1,3-dienyl methyl ether
  • Ether, 1,3-butadienyl methyl

Registry Numbers

CAS Registry Number

  • 3036-66-6

FDA UNII

  • 45C05L2K30

System Generated Number

  • 0003036666

Structure Descriptors

InChI

1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4+

InChIKey

KOCUMXQOUWPSLK-SNAWJCMRSA-N

Smiles

C(=C\OC)\C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2140uL/kg (2.14mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 91.5 deg C   EXP
log P (octanol-water) 1.190 (none)   EST
Atmospheric OH Rate Constant 1.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.