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Substance Name: Adipic acid [NF]
RN: 124-04-9
UNII: 76A0JE0FKJ
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O4

Molecular Weight

  • 146.141
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA 5 mg/m3

Names and Synonyms

Name of Substance

  • Adipic acid
  • Adipic acid [NF]
  • Hexanedioic acid

Synonyms

  • 1,4-Butanedicarboxylic acid
  • 1,6-Hexanedioic acid
  • 4-02-00-01956 (Beilstein Handbook Reference)
  • Acide adipique
  • Acide adipique [French]
  • Acifloctin
  • Acinetten
  • Adilactetten
  • Adipate
  • Adipic acid
  • Adipinic acid
  • Adipinsaure
  • Adipinsaure [German]
  • AI3-03700
  • BRN 1209788
  • CCRIS 812
  • EC 204-673-3
  • EINECS 204-673-3
  • FEMA No. 2011
  • FEMA Number 2011
  • Hexanedioic acid
  • HSDB 188
  • Kyselina adipova
  • Kyselina adipova [Czech]
  • Molten adipic acid
  • NSC 7622
  • UNII-76A0JE0FKJ

Systematic Names

  • Adipic acid
  • Hexanedioic acid

Superlist Names

  • 1,4-Butanedicarboxylic acid
  • Adipic acid
  • Hexanedioic acid

Registry Numbers

CAS Registry Number

  • 124-04-9

FDA UNII

  • 76A0JE0FKJ

Other Registry Numbers

  • 1186514-28-2
  • 2023788-68-1

Related Registry Numbers

  • 22322-28-7 (unspecified calcium salt)
  • 23311-84-4 (unspecified hydrochloride salt)
  • 25666-61-9 (unspecified potassium salt)
  • 3385-41-9 (di-ammonium salt)
  • 7486-38-6 (di-hydrochloride salt)
  • 7486-39-7 (magnesium[1:1] salt)

System Generated Number

  • 0000124049

Structure Descriptors

InChI

1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey

WNLRTRBMVRJNCN-UHFFFAOYSA-N

Smiles

C(CCCCC(O)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 680mg/kg (680mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BLOOD: HEMORRHAGE
Journal of Agricultural and Food Chemistry. Vol. 5, Pg. 759, 1957.
mouse LD50 oral 1900mg/kg (1900mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Agricultural and Food Chemistry. Vol. 5, Pg. 759, 1957.
rabbit LD50 oral > 11gm/kg (11000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(9), Pg. 72, 1983.
rat LD50 intraperitoneal 275mg/kg (275mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE
Journal of Agricultural and Food Chemistry. Vol. 5, Pg. 759, 1957.
rat LD50 oral > 11gm/kg (11000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(9), Pg. 72, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153.2 deg C   EXP
Boiling Point 337.5 deg C   EXP
pKa Dissociation Constant 4.44 (none)   EXP
log P (octanol-water) 0.08 (none)   EXP
Water Solubility 3.08E+04 mg/L 34 EXP
Henry's Law Constant 4.71E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.59E-12 cm3/molecule-sec 25 EST

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