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Substance Name: 2-Hexyldecanoic acid
RN: 25354-97-6
UNII: 49M19XFI8B
InChIKey: JMOLZNNXZPAGBH-UHFFFAOYSA-N

Note

  • Viscous oil.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H32-O2

Molecular Weight

  • 256.427
 
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Names and Synonyms

Name of Substance

  • 2-Hexyldecanoic acid

Synonyms

  • 2-Hexyldecanoic acid
  • 2-Hexyldecansaeure
  • 2-Hexyldecansaeure [German]
  • 4-02-00-01189 (Beilstein Handbook Reference)
  • 7-Pentadecanecarboxylic acid
  • BRN 1777217
  • C16 Guerbet fatty acid
  • EINECS 246-885-9
  • UNII-49M19XFI8B

Systematic Names

  • 2-Hexyldecanoic acid
  • Decanoic acid, 2-hexyl-

Registry Numbers

CAS Registry Number

  • 25354-97-6

FDA UNII

  • 49M19XFI8B

Other Registry Number

  • 53593-96-7

System Generated Number

  • 0025354976

Structure Descriptors

InChI

1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)

InChIKey

JMOLZNNXZPAGBH-UHFFFAOYSA-N

Smiles

C([C@@H](CCCCCC)C(O)=O)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 1gm/kg (1000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.
rat LDLo intraperitoneal 300mg/kg (300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 86, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 6.890 (none)   EST
Atmospheric OH Rate Constant 1.95E-11 cm3/molecule-sec 25 EST

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