CAS 88-99-3|Phthalic acid

Introduction:Basic information about CAS 88-99-3|Phthalic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePhthalic acid
CAS Number88-99-3Molecular Weight166.131
Density1.5±0.1 g/cm3Boiling Point378.3±25.0 °C at 760 mmHg
Molecular FormulaC8H6O4Melting Point210-211 °C (dec.)(lit.)
MSDSChineseUSAFlash Point196.7±19.7 °C
Symbol
GHS07
Signal WordWarning

Names

Namephthalic acid
SynonymMore Synonyms

Phthalic acid BiologicalActivity

DescriptionPhthalic acid is the final common metabolite of phthalic acid esters (PAEs). Phthalic acid can be used for the synthesis of synthetic agents, such as isophthalic acid (IPA), and terephthalic acid (TPA). Phthalic acid has applications in the preparation of phthalate ester plasticizers[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
Target

IC50: metabolite of PAEs[1]

References

[1]. Du Yeon Bang, et al.Toxicological Characterization of Phthalic Acid. Toxicol Res 2011;27:191−203

Chemical & Physical Properties

Density1.5±0.1 g/cm3
Boiling Point378.3±25.0 °C at 760 mmHg
Melting Point210-211 °C (dec.)(lit.)
Molecular FormulaC8H6O4
Molecular Weight166.131
Flash Point196.7±19.7 °C
Exact Mass166.026611
PSA74.60000
LogP0.81
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.618
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-N
SMILESO=C(O)c1ccccc1C(=O)O
StabilityStable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility7 g/L (25 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TH9625000
CHEMICAL NAME :
Phthalic acid
CAS REGISTRY NUMBER :
88-99-3
BEILSTEIN REFERENCE NO. :
0608199
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H6-O4
MOLECULAR WEIGHT :
166.14
WISWESSER LINE NOTATION :
QVR BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(8),12,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2530 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,711,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 49,471,1942 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
102 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 32(8),12,1967 *** REVIEWS *** TOXICOLOGY REVIEW BPCT** Progress Report from the Environmental Protection Agency to NIOSH on Benzenepolycarboxylates, 1974 Volume(issue)/page/year: -,183,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 59185 No. of Facilities: 106 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 2321 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 59185 No. of Facilities: 1480 (estimated) No. of Industries: 22 No. of Occupations: 27 No. of Employees: 19693 (estimated) No. of Female Employees: 2861 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi:Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S36-S37/39
RIDADRNONH for all modes of transport
WGK Germany1
RTECSTH9625000
HS Code2917399090

Customs

HS Code2916399090
Summary2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Synonyms

Dihydrogen benzene-1,2-dicarboxylate
Hydrogen phthalate
o-Phthalic acid
Phthalic acid
EINECS 201-873-2
1,2-Benzenedicarboxylate, dihydrogen salt
o-Dicarboxybenzene
1,2-Benzenedicarboxylic acid
ortho-phthalic acid
QVR BVQ
MFCD00002467
1,2-BENZENEDICABOXYLIC ACID
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