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CAS No.: | 25013-15-4 | |
---|---|---|
Name: | METHYLSTYRENE | |
Molecular Structure: | ||
Formula: | C9H10 | |
Molecular Weight: | 118.19 | |
Synonyms: | Styrene,ar-methyl- (8CI);Ethenylmethylbenzene;Tolylethylene;Vinyltoluene; | |
EINECS: | 246-562-2 | |
Density: | 0.890 | |
Melting Point: | -77 °C | |
Boiling Point: |
169-172 °C(lit.) |
|
Flash Point: | 47.4°C | |
Solubility: | 89mgl-1 | |
Appearance: | colourless liquid with a strong and unpleasant odour | |
Hazard Symbols: | Moderate fire risk. TLV: 50 ppm; STEL 100 ppm; not classifiable as a human carcinogen. | |
Risk Codes: | 10-38 | |
Safety: | Moderately toxic by ingestion and inhalation. An experimental teratogen. Human systemic effects by inhalation: eye and olfactory effects. Experimental reproductive effects. Mutation data reported. A skin and eye irritant. Flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. | |
Analytical Methods: | For occupational chemical analysis use NIOSH: Hydrocarbons, Aromatic, 1501. |
|
PSA: | 0.00000 | |
LogP: | 2.94960 |
Vinyl toluene(25013-15-4) is also called Vinyltoluene isomers mixture,inhibited; 3,4-vinyltoluene(mixedisomers); alpha,beta-styrene; ar-ethenylmethylbenzene; ar-methyl-styren; ethenylmethyl-benzen; methylethenylbenzene; allyl benzene.It is colorless liquid with a strong, disagreeable odor. Vinyl toluene is used to synthesize organic compound.
Physical properties about Vinyl toluene are: (1)ACD/LogP: 3.364; (2)ACD/LogD (pH 5.5): 3.36; (3)ACD/LogD (pH 7.4): 3.36; (4)ACD/BCF (pH 5.5): 212.05; (5)ACD/BCF (pH 7.4): 212.05; (6)ACD/KOC (pH 5.5): 1610.14; (7)ACD/KOC (pH 7.4): 1610.14; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.551; (10)Molar Refractivity: 42.002 cm3; (11)Molar Volume: 131.656 cm3; (12)Polarizability: 16.651 10-24cm3; (13)Surface Tension: 30.6919994354248 dyne/cm; (14)Density: 0.898 g/cm3; (15)Flash Point: 47.42 °C; (16)Enthalpy of Vaporization: 38.972 kJ/mol; (17)Boiling Point: 170.012 °C at 760 mmHg; (18)Vapour Pressure: 1.99000000953674 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:C=C\c1cc(ccc1)C;
(2)Std. InChI:InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3;
(3)Std. InChIKey:JZHGRUMIRATHIU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TCLo | inhalation | 400ppm (400ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE | AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956. |
mouse | LC50 | inhalation | 3020mg/m3/4H (3020mg/m3) | BLOOD: HEMORRHAGE GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Hygiene and Sanitation Vol. 34(7-9), Pg. 334, 1969. |
mouse | LD50 | oral | 3160mg/kg (3160mg/kg) | GASTROINTESTINAL: OTHER CHANGES BLOOD: HEMORRHAGE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA | Hygiene and Sanitation Vol. 34(7-9), Pg. 334, 1969. |
mouse | LDLo | skin | 4500mg/kg (4500mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(9), Pg. 40, 1969. | |
rat | LD50 | intraperitoneal | 2324mg/kg (2324mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990. |
rat | LD50 | oral | 2255mg/kg (2255mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 77, 1990. |
rat | LDLo | skin | 4500mg/kg (4500mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 34(9), Pg. 40, 1969. |