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619-04-5

619-04-5 structure
619-04-5 structure

Name 3,4-dimethylbenzoic acid
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
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.

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

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
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
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%
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