DIMETHYLBENZOIC ACID

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Names

[ CAS No. ]:
603-79-2

[ Name ]:
DIMETHYLBENZOIC ACID

[Synonym ]:
2,3-dimethyl benzoic acid
EINECS 210-058-0
hemelliticacid
2,3-dimethyl-benzoicaci
Benzoic acid, 2,3-dimethyl-
DIMETHYLBENZOIC ACID
RARECHEM AL BO 0357
2,3-Dimethylbenzoic acid
O-XYLENE-3-CARBOXYLIC ACID
2,3-Dimethyl-benzoesaeure
2,3-dimethylbenzene carboxylic acid
vic.-o-xylylic acid
MFCD00002479

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
281.5±9.0 °C at 760 mmHg

[ Melting Point ]:
144-146 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O₂

[ Molecular Weight ]:
150.174

[ Flash Point ]:
129.6±13.4 °C

[ Exact Mass ]:
150.068085

[ PSA ]:
37.30000

[ LogP ]:
2.82

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.550

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG8734000

CHEMICAL NAME :: Benzoic acid, 2,3-dimethyl-

CAS REGISTRY NUMBER :: 603-79-2

BEILSTEIN REFERENCE NO. :: 0971590

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H10-O2

MOLECULAR WEIGHT :: 150.19

WISWESSER LINE NOTATION :: QVR B1 C1

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 :: 1 gm/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

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S36/37/39-S22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG8734000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

o-xylene
Carbon dioxide
2,3-Dimethylbenzonitrile
2,3-Dimethylbromobenzene
1,2,3-Trimethylbenzene
Formic Acid
2,3-Dimethylbenzyl alcohol
2,3-dimethylbenzamide
magnesium,1-methanidyl-2-methylbenzene,bromide
2,3-Dimethylaniline

DownStream

2,3-dimethylbenzamide
2,3-Dimethylbenzonitrile
Benzamide, N,2,3-trimethyl- (9CI)
2,3-Dimethylbenzoyl chloride
1-(Bromomethyl)-2,3-dimethylbenzene
Medetomidine
3-Ethyl-o-xylene
Benzene-1,2,3-tricarboxylic acid
DIMETHYLBENZALDEHYDE
Methyl 2,3-bis(bromomethyl)benzoate

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

Specific involvement of two amino acid residues in cis-nerolidol binding to odorant-binding protein 5 AlinOBP5 in the alfalfa plant bug, Adelphocoris lineolatus (Goeze).

Insect Mol. Biol. 22(2) , 172-82, (2013)

Olfaction plays an important role in insects' survival and reproduction. Odorant-binding proteins (OBPs) are considered to be one of the crucial proteins in the insect olfactory pathway. In this study...

Metabolic fate of 3,4,5- and 2,3,5-trimethylphenyl methylcarbamates, the major constituents in Landrin insecticide.

J. Agric. Food Chem. 18(3) , 467-74, (1970)

Inducibility of the TOL catabolic pathway in Pseudomonas putida (pWW0) growing on succinate in continuous culture: evidence of carbon catabolite repression control.

J. Bacteriol. 176(8) , 2354-61, (1994)

The TOL catabolic genes in Pseudomonas putida (pWW0) are clustered in the upper operon, encoding enzymes for the conversion of toluene and xylenes to benzoate and toluates, and the meta-cleavage opero...

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2,4-Dimethylbenzoic acid
2,6-Dimethylbenzoic acid
3,5-Dimethylbenzoic acid
3,5-Dimethylbenzoic acid-d9
6-{[(5-Chlorofuran-2-yl)methyl]sulfanyl}hexan-2-one
7-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
3-Bromo-2-chloro-4-ethynylaniline
4-[N-ethyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbut-2-enamido]butanoic acid
(2S)-2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3,3-trifluoro-2-methylpropanamido]-3-methoxypropanoic acid
3-[3-(dimethylamino)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-propylpropanamido]propanoic acid
3-(6-Formyl-5-hydroxypyridin-3-yl)prop-2-ynoic acid
3-(2-Carboxyeth-1-yn-1-yl)-5-formylbenzoic acid
1-{[(3-Methylfuran-2-yl)methyl]sulfanyl}propan-2-ol
2-[({1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropyl}formamido)methyl]-1,3-thiazole-5-carboxylic acid

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