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Substance Name: Undecanoate [USAN]
RN: 112-37-8
UNII: 138ON3IIQG
InChIKey: ZDPHROOEEOARMN-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Results Name

  • Undecanoate [USAN]

Name of Substance

  • Hendecanoic acid
  • Undecanoate [USAN]
  • Undecanoic acid

Synonyms

  • 1-Decanecarboxylic acid
  • 4-02-00-01068 (Beilstein Handbook Reference)
  • AI3-02280
  • BRN 1759287
  • EINECS 203-964-2
  • FEMA No. 3245
  • Hendecanoic acid
  • n-Undecanoic acid
  • n-Undecoic acid
  • n-Undecylic acid
  • NSC 7885
  • Undecanoate
  • Undecanoic acid
  • Undecoic acid
  • Undecylic acid
  • UNII-138ON3IIQG

Systematic Name

  • Undecanoic acid

Superlist Name

  • Undecanoic acid

Registry Numbers

CAS Registry Number

  • 112-37-8

FDA UNII

  • 138ON3IIQG

System Generated Number

  • 0000112378

Structure Descriptors

InChI

1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)

InChIKey

ZDPHROOEEOARMN-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 140mg/kg (140mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 28.6 deg C   EXP
Boiling Point 280 deg C   EXP
log P (octanol-water) 4.42 (none)   EXP
Water Solubility 52.2 mg/L 30 EXP
Henry's Law Constant 7.01E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.26E-11 cm3/molecule-sec 25 EST

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