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Substance Name: Phthalic acid
RN: 88-99-3
UNII: 6O7F7IX66E
InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C8-H6-O4

Molecular Weight

  • 166.131
 
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Names and Synonyms

Name of Substance

  • Phthalic acid

Synonyms

  • 4-09-00-03167 (Beilstein Handbook Reference)
  • Acide phtalique
  • Acide phtalique [French]
  • AI3-02409
  • Benzene-1,2-dicarboxylic acid
  • BRN 0608199
  • CCRIS 1446
  • EC 201-873-2
  • EINECS 201-873-2
  • HSDB 1339
  • Kyselina ftalova
  • Kyselina ftalova [Czech]
  • NSC 5348
  • o-Benzenedicarboxylic acid
  • o-Dicarboxybenzene
  • o-Phthalic acid
  • Phthalic acid
  • UNII-6O7F7IX66E

Systematic Names

  • 1,2-Benzenedicarboxylic acid
  • o-Phthalic acid
  • Phthalic acid

Superlist Name

  • Phthalic acid

Registry Numbers

CAS Registry Number

  • 88-99-3

FDA UNII

  • 6O7F7IX66E

Other Registry Number

  • 4401-64-3

Related Registry Numbers

  • 10197-71-4 (hydrochloride salt)
  • 15656-86-7 (mono-barium salt)
  • 15968-01-1 (di-hydrochloride salt)
  • 29801-94-3 (potassium salt)
  • 33227-10-0 (mono-Ru salt)
  • 4409-98-7 (di-potassium salt)
  • 5793-85-1 (mono-calcium salt)
  • 6838-85-3 (mono-lead(2+) salt)
  • 827-27-0 (mono-hydrochloride salt)
  • 877-24-7 (mono-potassium salt)

System Generated Number

  • 0000088993

Structure Descriptors

InChI

1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 550mg/kg (550mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 49, Pg. 471, 1942.
mouse LD50 oral 2530mg/kg (2530mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 711, 1992.
rat LD50 unreported 1100mg/kg (1100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(8), Pg. 12, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 230 dec deg C   EXP
pKa Dissociation Constant 2.76 (none) 25 EXP
log P (octanol-water) 0.73 (none)   EXP
Water Solubility 7010 mg/L 25 EXP
Henry's Law Constant 2.18E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.24E-12 cm3/molecule-sec 25 EST

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