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Substance Name: n-Hexadecane
RN: 544-76-3
UNII: F8Z00SHP6Q
InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C16-H34

Molecular Weight

  • 226.445
 
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Names and Synonyms

Results Name

  • n-Hexadecane

Name of Substance

  • Glyceryl oleate
  • Hexadecane
  • n-Hexadecane

Synonyms

  • 4-01-00-00537 (Beilstein Handbook Reference)
  • AI3-06522
  • BRN 1736592
  • CCRIS 5833
  • Cetane
  • EC 208-878-9
  • EINECS 208-878-9
  • HSDB 6854
  • n-Cetane
  • n-Hexadecane
  • NSC 7334
  • UNII-F8Z00SHP6Q

Systematic Name

  • Hexadecane

Superlist Name

  • Hexadecane

Registry Numbers

CAS Registry Number

  • 544-76-3

FDA UNII

  • F8Z00SHP6Q

System Generated Number

  • 0000544763

Structure Descriptors

InChI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 9821mg/kg (9821mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 18.1 deg C   EXP
Boiling Point 286.8 deg C   EXP
log P (octanol-water) 8.250 (none)   EST
Water Solubility 9.00E-04 mg/L 25 EXP
Vapor Pressure 0.00143 mm Hg 25 EXP
Henry's Law Constant 0.473 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.49E-11 cm3/molecule-sec 25 EXP

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