Homophthalic acid

Modify Date: 2026-07-03 19:12:30

Homophthalic acid Structure
Homophthalic acid structure
Common Name Homophthalic acid
CAS Number 89-51-0 Molecular Weight 180.157
Density 1.4±0.1 g/cm3 Boiling Point 389.5±17.0 °C at 760 mmHg
Molecular Formula C9H8O4 Melting Point 178-182 °C(lit.)
MSDS USA Flash Point 203.5±17.4 °C

 Names

Name Homophthalic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 389.5±17.0 °C at 760 mmHg
Melting Point 178-182 °C(lit.)
Molecular Formula C9H8O4
Molecular Weight 180.157
Flash Point 203.5±17.4 °C
Exact Mass 180.042252
PSA 74.60000
LogP 1.18
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.600
InChIKey ZHQLTKAVLJKSKR-UHFFFAOYSA-N
SMILES O=C(O)Cc1ccccc1C(=O)O
Water Solubility 12 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1575590
CHEMICAL NAME :
Benzeneacetic acid, 2-carboxy-
CAS REGISTRY NUMBER :
89-51-0
BEILSTEIN REFERENCE NO. :
1872069
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S22-S24/25-S37/39-S26
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS CY1575590
HS Code 2917399090

 Synthetic Route

 Customs

HS Code 2917399090
Summary 2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Articles3

More Articles
Catabolism of homophthalic acid by a soil bacterium.

FEMS Microbiol. Lett. 49(2-3) , 305-8, (1989)

A microorganism capable of degrading homophthalic acid as a sole source of carbon was isolated from soil. The strain was tentatively identified as Pseudomonas sp. Oxygen uptake studies were carried ou...

An expeditious and environmentally friendly synthesis of 3-substituted isocoumarins using microwave irradiation.

Nat. Prod. Res. 22(13) , 1120-7, (2008)

A microwave-assisted, environmentally friendly, high-yielding, time-saving synthesis of medicinally important 3-substituted isocoumarins was carried out in a single step by direct condensation of homo...

Metabolic pathway of homophthalic acid in Pseudomonas alcaligenes.

FEMS Microbiol. Lett. 110(1) , 59-64, (1993)

A microorganism capable of degrading homophthalic acid as a sole carbon source was isolated from garden soil. The strain was identified as Pseudomonas alcaligenes. The organism degraded homophthalate ...

 Homophthalic acidBioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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 Synonyms

2-(Carboxymethyl)benzoic acid
a-Carboxy-o-toluic Acid
MFCD00004326
EINECS 201-913-9
Homophthalic Acid
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