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Substance Name: Allyl cyclohexanepropionate
RN: 2705-87-5
UNII: H4W9H3L241
InChIKey: TWXUTZNBHUWMKJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • Allyl cyclohexanepropionate

Synonyms

  • 2-Propen-1-yl cyclohexanepropionate
  • 2-Propenyl 3-cyclohexylpropanoate
  • 2-Propenyl cyclohexanepropanoate
  • 3-Allylcyclohexyl propionate
  • 4-09-00-00056 (Beilstein Handbook Reference)
  • AI3-13233
  • Allyl 3-cyclohexylpropionate
  • Allyl beta-cyclohexylpropionate
  • Allyl cyclohexanepropionate
  • Allyl hexahydrophenylpropionate
  • BRN 2254663
  • Cyclohexanepropanoic acid, 2-propenyl ester
  • Cyclohexanepropionic acid, allyl ester
  • Cyclohexanol, 3-allyl-, propionate
  • EC 220-292-5
  • EINECS 220-292-5
  • FEMA No. 2026
  • UNII-H4W9H3L241

Systematic Names

  • Allyl 3-cyclohexylpropionate
  • Cyclohexanepropanoic acid, 2-propen-1-yl ester
  • Cyclohexanepropanoic acid, 2-propenyl ester
  • Cyclohexanepropionic acid, allyl ester

Superlist Name

  • Allyl cyclohexanepropionate

Registry Numbers

CAS Registry Number

  • 2705-87-5

FDA UNII

  • H4W9H3L241

System Generated Number

  • 0002705875

Structure Descriptors

InChI

1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2

InChIKey

TWXUTZNBHUWMKJ-UHFFFAOYSA-N

Smiles

C1(CCC(OCC=C)=O)CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 380mg/kg (380mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BLOOD: HEMORRHAGE
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 585mg/kg (585mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.