methyl p-toluate

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Names

[ CAS No. ]:
99-75-2

[ Name ]:
methyl p-toluate

[Synonym ]:
methyl p-toluate
4-Methyl-N-isopropylbenzamid
N-Isopropyl-p-toluamide
methyl p-methylbenzoate
4-Me-C6H4-CO2Me
Methyl 4-methylbenzoate
p-toluic acid isopropylamide
4-methyl-benzoic acid methyl ester
Benzoic acid, 4-methyl-, methyl ester
N-Isopropyl-4-methylbenzamide
methyl 4-methyl-benzoate
p-toluic acid methyl ester
EINECS 202-784-1
MFCD00008441
N-Isopropyl-p-toluamid

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
222.5±0.0 °C at 760 mmHg

[ Melting Point ]:
32-35 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O₂

[ Molecular Weight ]:
150.174

[ Flash Point ]:
90.6±0.0 °C

[ Exact Mass ]:
150.068085

[ PSA ]:
26.30000

[ LogP ]:
2.66

[ Vapour density ]:
4.7 (vs air)

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.509

[ Water Solubility ]:
<0.1 g/100 mL at 22 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XU2150000

CHEMICAL NAME :: p-Toluic acid, methyl ester

CAS REGISTRY NUMBER :: 99-75-2

BEILSTEIN REFERENCE NO. :: 1100609

LAST UPDATED :: 199710

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C9-H10-O2

MOLECULAR WEIGHT :: 150.19

WISWESSER LINE NOTATION :: 1OVR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,873,1979 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,873,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,87,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,87,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,873,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 3800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6923 No. of Facilities: 99 (estimated) No. of Industries: 4 No. of Occupations: 5 No. of Employees: 2244 (estimated) No. of Female Employees: 469 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
XU2150000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

TMOS
p-Tolualdehyde
Tosyl chloride
Methanol
DI-P-TOLYLACETYLENE
carbon monoxide
4-Bromotoluene
4-Iodotoluene
1-METHYL-4-PHENYLETHYNYL-BENZENE
4-Methylbenzoic acid

DownStream

methyl 4-(4-oxopentyl)benzoate
Methyl 4-(chloromethyl)benzoate
Methyl 3-chloro-4-methylbenzoate
5-(4-methylphenyl)-1 3 4-oxadiazole-2-&
Methyl 4-(2-methoxy-2-oxoethyl)benzoate
Benzenemethanol,4-methyl-a,a-bis(4-methylphenyl)-
p-tolylmethanol
Methyl 5-Methylsalicylate
Methyl 2-hydroxy-4-methylbenzoate
Benzamide,N,N,4-trimethyl-

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

Factors affecting the selectivity of the oxidation of methyl p-toluate by cobalt(III).

Inorg. Chem. 47(6) , 2190-5, (2008)

The anaerobic oxidation of methyl p-toluate by cobalt(III) in acetic acid was investigated. Observed products were 4-carbomethoxybenzaldehyde (2), 4-carbomethoxybenzoic acid (3), 4-carbomethoxybenzyl ...

Effect of the internal/external donor pair in high-yield catalysts for propylene polymerization, 2. Polymerization results. Barbè PC, et al.

Makromol. Chem. 193(1) , 229-41, (1992)