Paraxylic Acid

Modify Date: 2025-08-21 12:44:52

Paraxylic Acid Structure
Paraxylic Acid structure
Common Name Paraxylic Acid
CAS Number 619-04-5 Molecular Weight 150.174
Density 1.1±0.1 g/cm3 Boiling Point 294.6±9.0 °C at 760 mmHg
Molecular Formula C9H10O2 Melting Point 163-165 °C(lit.)
MSDS Chinese USA Flash Point 134.9±13.4 °C

 Use of Paraxylic Acid


3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75[1].

 Names

Name 3,4-dimethylbenzoic acid
Synonym More Synonyms

 Paraxylic Acid Biological Activity

Description 3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75[1].
Related Catalog
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].
References

[1]. StefanSchmidt, et al. Isolation and identification of two novel butenolides as products of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 294.6±9.0 °C at 760 mmHg
Melting Point 163-165 °C(lit.)
Molecular Formula C9H10O2
Molecular Weight 150.174
Flash Point 134.9±13.4 °C
Exact Mass 150.068085
PSA 37.30000
LogP 2.82
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.550
InChIKey OPVAJFQBSDUNQA-UHFFFAOYSA-N
SMILES Cc1ccc(C(=O)O)cc1C

 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 DATA

ACUTE 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

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S22-S24/25-S37/39-S26
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DG8734020
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
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%

 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
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