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Substance Name: Bornyl isovalerate
RN: 76-50-6
UNII: 4P1Q0678RW
InChIKey: MPYYVGIJHREDBO-YWPYICTPSA-N

Molecular Formula

  • C15-H26-O2

Molecular Weight

  • 238.3684
 
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Names and Synonyms

Results Name

  • Bornyl isovalerate

Name of Substance

  • Bornyl isovalerate

Synonyms

  • 2-Bornyl 3-methylbutyrate
  • 2-Bornyl isovalerate
  • AI3-04348
  • Bornyl 3-methylbutanoate
  • Bornyl isopentanoate
  • Bornyl isovalerate
  • Bornyl isovalerianate
  • Bornyval
  • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
  • EINECS 200-966-5
  • endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
  • endo-3-Methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
  • FEMA No. 2165
  • Hysterol
  • Iso-valerianate de bornyle
  • Iso-valerianate de bornyle [French]
  • Isovaleric acid, 2-bornyl ester
  • NSC 68007
  • UNII-4P1Q0678RW

Systematic Names

  • Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-
  • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
  • endo-Bornyl isovalerate
  • Isovaleric acid, 2-bornyl ester (7CI,8CI)

Superlist Name

  • Bornyl isovalerate

Registry Numbers

CAS Registry Number

  • 76-50-6

FDA UNII

  • 4P1Q0678RW

System Generated Number

  • 0000076506

Structure Descriptors

InChI

1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1

InChIKey

MPYYVGIJHREDBO-YWPYICTPSA-N

Smiles

CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 2gm/kg (2000mg/kg)   Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974.