3,5-Dimethylbenzoic acid

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Names

[ CAS No. ]:
499-06-9

[ Name ]:
3,5-Dimethylbenzoic acid

[Synonym ]:
3,5-Dimethylbenzoic acid
m-Xylene-5-carboxylic Acid
Mesitylenic Acid
MFCD00002525
EINECS 207-876-5
3,5-Dimethylbenzoesaeure
Benzoic acid,3,5-dimethyl
symm. m-Xylylsaeure
3,5-Dimethyl benzoic acid
sym.-m-Xylylic acid
Mesitylenic acid,sym.-m-Xylylic acid
3,5-Dimethyl-benzoic acid
Benzoic acid, 3,5-dimethyl-

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
277.9±9.0 °C at 760 mmHg

[ Melting Point ]:
169-171 °C(lit.)

[ Molecular Formula ]:
C9H10O2

[ Molecular Weight ]:
150.174

[ Flash Point ]:
128.2±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 :
DG8734030
CHEMICAL NAME :
Benzoic acid, 3,5-dimethyl-
CAS REGISTRY NUMBER :
499-06-9
BEILSTEIN REFERENCE NO. :
1072182
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H10-O2
MOLECULAR WEIGHT :
150.19
WISWESSER LINE NOTATION :
QVR C1 E1

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 :
750 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

[ 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

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DG8734030

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Mesitylene
  • Carbon dioxide
  • 1-Iodo-3,5-dimethylbenzene
  • Malononitrile
  • Formic Acid
  • m-Xylene
  • carbon monoxide
  • Benzamide,3,5-dimethyl-
  • N-[2-[(3,5-dimethylbenzoyl)amino]-1,2-dipyridin-4-yl-ethyl]-3,5-dimethyl-benzamide
  • 3,5-Dimethylbenzaldehyde

DownStream

  • Trimesic acid
  • Uvitic acid
  • 1-(3,5-Dimethylphenyl)ethanone
  • Triethyl 1,3,5-benzenetricarboxylate
  • Formic Acid
  • acetic acid
  • 2-Iodo-3,5-dimethylbenzoic acid
  • m-Xylene
  • Carbon dioxide

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

Organotin(IV) based anti-HCV drugs: synthesis, characterization and biochemical activity.

Dalton Trans. 44 , 10467-78, (2015)

Three new organotin(iv) carboxylates () of 3,5-dimethylbenzoate, have been synthesized and characterized by elemental analysis, FT-IR, multinuclear NMR ((1)H, (13)C and (119)Sn), mass spectrometry and...

Urinary excretion of dimethylhippuric acids in humans after exposure to trimethylbenzenes.

Int. Arch. Occup. Environ. Health 69(6) , 491-7, (1997)

The aim of this study was to determine the urinary excretion of dimethylhippuric acids (DMHAs) in humans after experimental chamber exposure to trimethylbenzene (TMB) vapor. The DMHAs have been put fo...

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...


More Articles

Related Compounds

  • 3,5-Dimethylbenzoic acid-d9
  • 2-Iodo-3,5-dimethylbenzoic acid
  • 4-Iodo-3,5-dimethylbenzoic acid
  • 4-Bromo-3,5-dimethylbenzoic acid
  • 4-Nitro-3,5-dimethylbenzoic acid
  • 4-Amino-3,5-dimethylbenzoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine