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Substance Name: 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate
RN: 84012-64-6
InChIKey: RWSDULKUTPNPMB-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C17-H28-O2

Molecular Weight

  • 264.406
 
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Names and Synonyms

Synonyms

  • 2-(2,2-Dimethyl-3-propionyl)-1-methyl-3-(methylethenyl)cyclopentene
  • 5-(1-Methylethenyl)-beta,beta,2-trimethyl-1-cyclopentene-1-propanol propanoate
  • Cyclopentenyl propionate musk
  • EINECS 281-705-2

Systematic Names

  • 1-Cyclopentene-1-propanol, 5-(1-methylethenyl)-beta,beta,2-trimethyl-, propanoate
  • 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, 1-propanoate
  • 1-Cyclopentene-1-propanol, beta,beta,2-trimethyl-5-(1-methylethenyl)-, propanoate
  • 5-Isopropenyl-beta,beta,2-trimethylcyclopent-1-ene-1-propyl propionate

Registry Numbers

CAS Registry Number

  • 84012-64-6

System Generated Number

  • 0084012646

Structure Descriptors

InChI

1S/C17H28O2/c1-7-16(18)19-11-17(5,6)10-15-13(4)8-9-14(15)12(2)3/h14H,2,7-11H2,1,3-6H3

InChIKey

RWSDULKUTPNPMB-UHFFFAOYSA-N

Smiles

C1(=C(CC[C@@H]1C(=C)C)C)CC(COC(CC)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 295, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 295, 1988.