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Substance Name: Phellandral
RN: 21391-98-0
UNII: O55U5SW7ZR
InChIKey: AEVLWICMAHGAMS-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Name of Substance

  • Phellandral

Synonyms

  • EINECS 244-355-1
  • UNII-O55U5SW7ZR

Systematic Name

  • 4-Isopropylcyclohexenecarbaldehyde

Registry Numbers

CAS Registry Number

  • 21391-98-0

FDA UNII

  • O55U5SW7ZR

System Generated Number

  • 0021391980

Structure Descriptors

InChI

1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3

InChIKey

AEVLWICMAHGAMS-UHFFFAOYSA-N

Smiles

C1(=CC[C@@H](CC1)C(C)C)C=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 223 deg C   EXP
log P (octanol-water) 3.340 (none)   EST
Atmospheric OH Rate Constant 5.65E-11 cm3/molecule-sec 25 EST

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