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Substance Name: Isopulegyl acetate
RN: 57576-09-7
UNII: R3C4VQ5WQM
InChIKey: HLHIVJRLODSUCI-ADEWGFFLSA-N

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • Isopulegyl acetate

Synonyms

  • EINECS 260-820-1
  • FEMA No. 2965
  • Isopulegyl acetate
  • NSC 403868
  • UNII-R3C4VQ5WQM

Systematic Names

  • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (1R,2S,5R)-
  • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1R,2S,5R)-
  • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1theta-(1alpha,2beta,5alpha))-
  • Isopulegyl acetate

Registry Numbers

CAS Registry Number

  • 57576-09-7

FDA UNII

  • R3C4VQ5WQM

System Generated Number

  • 0057576097

Structure Descriptors

InChI

1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1

InChIKey

HLHIVJRLODSUCI-ADEWGFFLSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 85 deg C   EXP
log P (octanol-water) 4.380 (none)   EST
Atmospheric OH Rate Constant 6.66E-11 cm3/molecule-sec 25 EST

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