Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isopropyl tiglate
RN: 1733-25-1
UNII: 50936QM86D
InChIKey: QQVQBUXUAZCLLZ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H14-O2

Molecular Weight

  • 142.197
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Isopropyl tiglate

Synonyms

  • (E)-1-Methylethyl 2-methyl-2-butenoate
  • 1-Methylethyl 2-methyl-2-butenoate, (E)-
  • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-
  • AI3-33796
  • EINECS 217-067-9
  • FEMA No. 3229
  • Isopropyl 2-methyl-2-butenoate
  • Isopropyl alpha-methyl crotonate
  • Isopropyl alpha-methylcrotonate
  • Isopropyl tiglate
  • Tiglic acid isopropyl ester
  • UNII-50936QM86D

Systematic Names

  • 2-Butenoic acid, 2-methyl-, 1-isopropyl ester, (E)-
  • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)- (9CI)
  • Isopropyl 2-methylcrotonate

Superlist Name

  • Isopropyl tiglate

Registry Numbers

CAS Registry Number

  • 1733-25-1

FDA UNII

  • 50936QM86D

System Generated Number

  • 0001733251

Structure Descriptors

InChI

1S/C8H14O2/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3

InChIKey

QQVQBUXUAZCLLZ-UHFFFAOYSA-N

Smiles

C(\C(OC(C)C)=O)=C(/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 839, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 839, 1979.