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Substance Name: Benzyl 1R, trans-chrysanthemate
RN: 64312-78-3
InChIKey: KIODTPOSZZYFIX-CABCVRRESA-N

Molecular Weight

  • 258.359
 
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Names and Synonyms

Name of Substance

  • Benzyl 1R, trans-chrysanthemate

Systematic Name

  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, phenylmethyl ester, (1R,3R)-

Registry Numbers

CAS Registry Number

  • 64312-78-3

System Generated Number

  • 0064312783

Structure Descriptors

InChI

1S/C17H22O2/c1-12(2)10-14-15(17(14,3)4)16(18)19-11-13-8-6-5-7-9-13/h5-10,14-15H,11H2,1-4H3/t14-,15+/m1/s1

InChIKey

KIODTPOSZZYFIX-CABCVRRESA-N

Smiles

CC1(C)[C@@H](\C=C(/C)C)[C@H]1C(=O)OCc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.49 (none)   EXP
Water Solubility 0.435 mg/L 25 EST
Vapor Pressure 1.10E-04 mm Hg 25 EST
Henry's Law Constant 6.25E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.39E-11 cm3/molecule-sec 25 EST

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