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Substance Name: Pimelic acid
RN: 111-16-0
UNII: BZQ96WX25F
InChIKey: WLJVNTCWHIRURA-UHFFFAOYSA-N

Note

  • A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4.

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
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Names and Synonyms

Name of Substance

  • Pimelic acid

MeSH Heading

  • Pimelic Acids

Synonyms

  • 1,5-Pentanedicarboxylic acid
  • 4-02-00-02003 (Beilstein Handbook Reference)
  • BRN 1210024
  • EINECS 203-840-8
  • Heptandioic acid
  • Heptane-1,7-dioic acid
  • Heptanedioic acid
  • NSC 30112
  • Pileric acid
  • Pimelic acid
  • UNII-BZQ96WX25F

Systematic Names

  • Heptanedioic acid
  • Pimelic acid

Registry Numbers

CAS Registry Number

  • 111-16-0

FDA UNII

  • BZQ96WX25F

System Generated Number

  • 0000111160

Structure Descriptors

InChI

1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

InChIKey

WLJVNTCWHIRURA-UHFFFAOYSA-N

Smiles

C(CCCCCC(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4800mg/kg (4800mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rat LD50 oral 7gm/kg (7000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 477, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 106 deg C   EXP
Boiling Point 342 deg C   EXP
pKa Dissociation Constant 4.51 (none) 25 EXP
log P (octanol-water) 0.61 (none)   EXP
Water Solubility 5.00E+04 mg/L 20 EXP
Henry's Law Constant 1.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-12 cm3/molecule-sec 25 EST

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