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Substance Name: 2-Tridecanone
RN: 593-08-8
UNII: 5Q35VHX26K
InChIKey: CYIFVRUOHKNECG-UHFFFAOYSA-N

Molecular Formula

  • C13-H26-O

Molecular Weight

  • 198.347
 
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Names and Synonyms

Name of Substance

  • 2-Tridecanone

Synonyms

  • 2-Tridecanone
  • 2-Tridecanone (natural)
  • AI3-04238
  • EINECS 209-784-0
  • FEMA No. 3388
  • Hendecyl methyl ketone
  • Mathyl undecyl kepoje
  • Methyl undecyl ketone
  • NSC 14763
  • UNII-5Q35VHX26K

Systematic Name

  • 2-Tridecanone

Superlist Name

  • 2-Tridecanone

Registry Numbers

CAS Registry Number

  • 593-08-8

FDA UNII

  • 5Q35VHX26K

System Generated Number

  • 0000593088

Structure Descriptors

InChI

1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

InChIKey

CYIFVRUOHKNECG-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCC(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
Boiling Point 263 deg C   EXP
log P (octanol-water) 4.680 (none)   EST
Water Solubility 4.530 mg/L 25 EST
Henry's Law Constant 8.43E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.67E-11 cm3/molecule-sec 25 EST

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