Paraxylic Acid

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Names

[ CAS No. ]:
619-04-5

[ Name ]:
Paraxylic Acid

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

3,4-Dimethylacetophenone
o-xylene
Carbon dioxide
3,4-dimethylcyclohex-3-ene-1-carboxylic acid
2,3-DIMETHYL-1,3-BUTADIENE
Propiolic acidd
1,2,4-TRIMETHYL BENZENE
1,4-Cyclohexadiene-1-carboxylic acid, 4,5-dimethyl-2-(trimethylsilyl)
Formic Acid

DownStream

Methyl 3,4-dimethylbenzoate
3,4-Dimethylbenzaldehyde
(2E)-3-(3,4-Dimethylphenyl)acrylic acid
3,4-bis(bromomethyl)benzoic acid
3,4-bis(dibromomethyl)benzoic acid
o-xylene
(3,4-dimethylphenyl)-(4-methylphenyl)methanone
2-Methylbenzoic acid
3,4-Xylenol
3,4-Dimethylaniline

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%

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...

Thiovaleric acid S-sec-butyl ester
Octanethioic acid S-propyl ester
Hexanethioic acid S-decyl ester
Thiopropionic acid S-undecyl ester
trisporic acid
Benzoic acid, 3,4-dihydroxy-, 2-Methylpropyl ester
Alaproclate, (R)-
trans-10,11-Dihydro-10,11-dihydroxydibenz(a,c)anthracene
Methylcelecoxib
Methyl 1-[4-(aminosulfonyl)phenyl]-5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
Ethyl 4-[(2-methyl-2-propen-1-yl)oxy]-3,5-dipropylbenzoate
Carbamic acid, (bis(2,2-dimethyl-1-aziridinyl)phosphinyl)-, 2-((1-methoxy-2,2,6,6-tetramethyl-4-piperidyl)oxy)ethyl ester
4,4-Dimethyloctanoic acid
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
N-(3-(benzo[d]thiazol-2-yl)phenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
(8S,9S,10R,13R,14S,17R)-17-((R)-6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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