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Substance Name: 3,3-Dimethylacrylic acid ethyl ester
RN: 638-10-8
UNII: 2Z69LO3855
InChIKey: UTXVCHVLDOLVPC-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O2

Molecular Weight

  • 128.17
 
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Names and Synonyms

Name of Substance

  • 3,3-Dimethylacrylic acid ethyl ester

Synonyms

  • 2-Butenoic acid, 3-methyl-, ethyl ester
  • 4-02-00-01556 (Beilstein Handbook Reference)
  • AI3-32913
  • BRN 1744854
  • EINECS 211-319-1
  • Ethyl 3,3-dimethylacrylate
  • Ethyl 3-methyl-2-butenoate
  • Ethyl 3-methylcrotonate
  • Ethyl beta,beta-dimethylacrylate
  • Ethyl beta-methylcrotonate
  • Ethyl isobutenoate
  • Ethyl isopropylidene acetate
  • Ethyl isopropylideneacetate
  • Ethyl senecioate
  • NSC 61853
  • NSC 99208
  • UNII-2Z69LO3855

Systematic Names

  • 2-Butenoic acid, 3-methyl-, ethyl ester
  • Crotonic acid, 3-methyl-, ethyl ester
  • Ethyl 3-methylcrotonate

Registry Numbers

CAS Registry Number

  • 638-10-8

FDA UNII

  • 2Z69LO3855

System Generated Number

  • 0000638108

Structure Descriptors

InChI

1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3

InChIKey

UTXVCHVLDOLVPC-UHFFFAOYSA-N

Smiles

C(\C(OCC)=O)=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 5gm/kg (5000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(4), Pg. 52, 1985.
mouse LD50 oral 2450mg/kg (2450mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(4), Pg. 52, 1985.
rat LD50 oral 11600mg/kg (11600mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(4), Pg. 52, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 153.5 deg C   EXP
log P (octanol-water) 2.180 (none)   EST
Atmospheric OH Rate Constant 3.23E-11 cm3/molecule-sec 25 EST

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