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Substance Name: 1-Hexadecene
RN: 629-73-2
UNII: 97T015M2UX
InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N

Molecular Formula

  • C16-H32

Molecular Weight

  • 224.4288
 
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Names and Synonyms

Results Name

  • 1-Hexadecene

Name of Substance

  • Cetene
  • n-Hexadec-1-ene

Synonyms

  • 1-Cetene
  • 1-Hexadecene
  • 1-n-Hexadecene
  • AI3-06556
  • alpha-Hexadecene
  • alpha-Hexadecylene
  • Cetene
  • Cetylene
  • Dialene 16
  • EC 211-105-8
  • EINECS 211-105-8
  • Gulftene 16
  • Hexadecylene-1
  • HSDB 5730
  • n-Hexadec-1-ene
  • NSC 60602
  • UNII-97T015M2UX

Systematic Names

  • 1-Hexadecene
  • Hexadec-1-ene

Superlist Name

  • 1-Hexadecene

Registry Numbers

CAS Registry Number

  • 629-73-2

FDA UNII

  • 97T015M2UX

Other Registry Number

  • 501012-99-3

System Generated Number

  • 0000629732

Structure Descriptors

InChI

1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3

InChIKey

GQEZCXVZFLOKMC-UHFFFAOYSA-N

Smiles

C(CCCCCCC=C)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 10gm/kg (10000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER National Technical Information Service. Vol. OTS0535205,
rat LC inhalation > 8500mg/m3/1H (8500mg/m3)   National Technical Information Service. Vol. OTS0535205,
rat LD oral > 10gm/kg (10000mg/kg)   National Technical Information Service. Vol. OTS0535205,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 4.1 deg C   EXP
Boiling Point 284.9 deg C   EXP
log P (octanol-water) 8.060 (none)   EST
Water Solubility 1.23E-03 mg/L 25 EST
Vapor Pressure 0.00264 mm Hg 25 EXP
Henry's Law Constant 6.100 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.43E-11 cm3/molecule-sec 25 EST

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