Introduction：Basic information about CAS 619-04-5|Paraxylic Acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Paraxylic Acid |
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| CAS Number | 619-04-5 | Molecular Weight | 150.174 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 294.6±9.0 °C at 760 mmHg |
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| Molecular Formula | C9H10O2 | Melting Point | 163-165 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 134.9±13.4 °C |
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Names
| Name | 3,4-dimethylbenzoic acid |
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| Synonym | More Synonyms |
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Paraxylic Acid BiologicalActivity
| Description | 3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| In Vitro | 3,4-Dimethylbenzoic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3,4-dimethylcatechol[1]. |
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| References | [1]. StefanSchmidt, et al. Isolation and identification of two novel butenolides as products of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 294.6±9.0 °C at 760 mmHg |
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| Melting Point | 163-165 °C(lit.) |
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| Molecular Formula | C9H10O2 |
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| Molecular Weight | 150.174 |
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| Flash Point | 134.9±13.4 °C |
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| Exact Mass | 150.068085 |
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| PSA | 37.30000 |
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| LogP | 2.82 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.550 |
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| InChIKey | OPVAJFQBSDUNQA-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(C(=O)O)cc1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG8734020
- CHEMICAL NAME :
- Benzoic acid, 3,4-dimethyl-
- CAS REGISTRY NUMBER :
- 619-04-5
- BEILSTEIN REFERENCE NO. :
- 0907267
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C9-H10-O2
- MOLECULAR WEIGHT :
- 150.19
- WISWESSER LINE NOTATION :
- QVR C1 D1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 316 mg/kg
- TOXIC EFFECTS :
- Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S22-S24/25-S37/39-S26 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | DG8734020 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 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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Articles3
More Articles
| Initial steps in the degradation of 3,4-dimethylbenzoic acid by Pseudomonas putida strain DMB. FEMS Microbiol. Lett. 137(2-3) , 129-34, (1996) Pseudomonas putida strain DMB capable of growing on 3,4-dimethylbenzoic acid as the only C and energy source was isolated by enrichment techniques. It does not utilize for growth or cooxidize the othe... | |
| Biological monitoring of experimental human exposure to trimethylbenzene. Sci. Total Environ. 199(1-2) , 73-81, (1997) Trimethylbenzene (TMB) is a component of numerous commercial preparations of organic solvents (Farbasol, Solvesso, Shellsol) used in the chemical, plastics, printing and other industries. TMB is a mix... | |
| [Determination of dimethylbenzoic acid isomers in urine by gas chromatography]. Macrocyclic Polyether Synthesis 45(1) , 37-44, (1994) Trimethylobenzene (TMB) is a main ingredient of many organic solvents used in industry. In Farbasol (Polish trade name of the solvent) TMB occurs as a mixture of three isomers: pseudocumene (1, 2, 4-T... | |
Synonyms
| asym.-o-Xylylic acid |
| Paraxylic Acid |
| EINECS 210-576-7 |
| 3,4-diMeC6H4COOH |
| 3,4-Dimethylbenzoic acid |
| 3,4-Dimethyl-benzoesaeure |
| o-Xylene-4-carboxylic Acid |
| Benzoic acid,3,4-dimethyl |
| Benzoic acid, 3,4-dimethyl- |
| MFCD00002524 |
| 3,4-dimethylbenzene carboxylic acid |
| 1-Carboxy-3,4-dimethylbenzene |
| 3,4-DiMethyl-Benzoic Acid |
