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Substance Name: 2,2,4,6,6-Pentamethyl-3-heptene
RN: 123-48-8
UNII: 93OVL3281U
InChIKey: NBUMCEJRJRRLCA-CSKARUKUSA-N

Molecular Formula

  • C12-H24

Molecular Weight

  • 168.322
 
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Names and Synonyms

Name of Substance

  • 2,2,4,6,6-Pentamethyl-3-heptene

Synonyms

  • 3-Heptene, 2,2,4,6,6-pentamethyl-
  • EINECS 204-631-4
  • HSDB 5599
  • UNII-93OVL3281U

Systematic Names

  • 2,2,4,6,6-Pentamethylhept-3-ene
  • 3-Heptene, 2,2,4,6,6-pentamethyl-

Registry Numbers

CAS Registry Number

  • 123-48-8

FDA UNII

  • 93OVL3281U

Other Registry Number

  • 63119-56-2

System Generated Number

  • 0000123488

Structure Descriptors

InChI

1S/C12H24/c1-10(8-11(2,3)4)9-12(5,6)7/h8H,9H2,1-7H3/b10-8+

InChIKey

NBUMCEJRJRRLCA-CSKARUKUSA-N

Smiles

C(C\C(=C\C(C)(C)C)C)(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.850 (none)   EST
Atmospheric OH Rate Constant 8.92E-11 cm3/molecule-sec 25 EST

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