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Substance Name: Piperitone
RN: 89-81-6
UNII: 1VZ8RG269R
InChIKey: YSTPAHQEHQSRJD-UHFFFAOYSA-N

Note

  • From Mentha longifolia var. chorodictya Rech F.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Name of Substance

  • Piperitone

Synonyms

  • 1-Methyl-4-isopropyl-1-cyclohexen-3-one
  • 2-07-00-00075 (Beilstein Handbook Reference)
  • 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
  • 3-Carvomenthenone
  • AI3-16053
  • BRN 1907772
  • EC 201-942-7
  • EINECS 201-942-7
  • NSC 251528
  • p-Menth-1-en-3-one
  • Piperitone
  • UNII-1VZ8RG269R

Systematic Names

  • 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-
  • 6-Isopropyl-3-methylcyclohex-2-enone
  • p-Menth-1-en-3-one

Registry Numbers

CAS Registry Number

  • 89-81-6

FDA UNII

  • 1VZ8RG269R

Other Registry Numbers

  • 1082702-70-2
  • 6091-52-7

System Generated Number

  • 0000089816

Structure Descriptors

InChI

1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3

InChIKey

YSTPAHQEHQSRJD-UHFFFAOYSA-N

Smiles

C1([C@@H](CCC(=C1)C)C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1420mg/kg (1420mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Food and Cosmetics Toxicology. Vol. 16, Pg. 863, 1978.
rat LD50 oral 2450mg/kg (2450mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 863, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 233 deg C   EXP
log P (octanol-water) 2.85 (none)   EXP
Atmospheric OH Rate Constant 9.41E-11 cm3/molecule-sec 25 EST

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