3,5-Dimethylbenzoic acid

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

DownStream

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%

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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...

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Biological monitoring of experimental human exposure to trimethylbenzene.

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