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Substance Name: Bornyl alpha-bromoisovalerate, D-
RN: 52964-40-6
UNII: 4KHV9YB6I6
InChIKey: BKTCQCQMGGOSNJ-YTZLLXOQSA-N

Molecular Formula

  • C15-H25-Br-O2

Molecular Weight

  • 317.2645
 
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Names and Synonyms

Name of Substance

  • Bornyl alpha-bromoisovalerate, D-

Synonyms

  • 2-Bromo-3-methylbutyric acid ester with D-borneol
  • Alisan
  • Bornyl alpha-bromoisovalerate, D-
  • Brovalol
  • Butanoic acid, 2-bromo-3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
  • D-Bornyl alpha-bromoisovalerate [MI]
  • Eubornyl
  • UNII-4KHV9YB6I6

Registry Numbers

CAS Registry Number

  • 52964-40-6

FDA UNII

  • 4KHV9YB6I6

System Generated Number

  • 0052964406

Structure Descriptors

InChI

InChI=1S/C15H25BrO2/c1-9(2)12(16)13(17)18-11-8-10-6-7-15(11,5)14(10,3)4/h9-12H,6-8H2,1-5H3/t10-,11+,12?,15+/m1/s1

InChIKey

BKTCQCQMGGOSNJ-YTZLLXOQSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 163 deg C   EXP
log P (octanol-water) 5.530 (none)   EST
Atmospheric OH Rate Constant 8.01E-12 cm3/molecule-sec 25 EST

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