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Substance Name: Docosanoic acid
RN: 112-85-6
UNII: H390488X0A
InChIKey: UKMSUNONTOPOIO-UHFFFAOYSA-N

Molecular Formula

  • C22-H44-O2

Molecular Weight

  • 340.5876
 
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Names and Synonyms

Name of Substance

  • Behenic acid
  • Docosanoic acid

Synonyms

  • 1-Docosanoic acid
  • AI3-52709
  • Behenic acid
  • Docosanoic acid
  • Docosoic acid
  • EC 204-010-8
  • EINECS 204-010-8
  • Glycon B-70
  • HSDB 5578
  • Hydrofol 2022-55
  • Hydrofol Acid 560
  • n-Docosanoic acid
  • NSC 32364
  • UNII-H390488X0A

Systematic Name

  • Docosanoic acid

Superlist Name

  • Docosanoic acid

Registry Numbers

CAS Registry Number

  • 112-85-6

FDA UNII

  • H390488X0A

Related Registry Numbers

  • 16529-65-0 (zinc salt)
  • 18990-72-2 (aluminum salt)
  • 20259-31-8 (iron(+3) salt)
  • 2489-05-6 (silver(+1) salt)
  • 2636-16-0 (barium salt)
  • 34303-23-6 (cadmium salt)
  • 4499-91-6 (lithium salt)
  • 5331-77-1 (hydrochloride salt)
  • 7211-53-2 (potassium salt)

System Generated Number

  • 0000112856

Structure Descriptors

InChI

1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChIKey

UKMSUNONTOPOIO-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCC)CCCCCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 81 deg C   EXP
log P (octanol-water) 9.910 (none)   EST
Water Solubility 0.016 mg/L   EXP
Vapor Pressure 7.15E-08 mm Hg 25 EST
Henry's Law Constant 1.58E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.81E-11 cm3/molecule-sec 25 EST

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