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Vinyl toluene
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Name

Vinyl toluene

 EINECS 246-562-2
CAS No. 25013-15-4 Density 0.890
PSA 0.00000 LogP 2.94960
Solubility 89mgl-1 Melting Point -77 °C
Formula C9H10 Boiling Point 169-172 °C(lit.)
Molecular Weight 118.19 Flash Point 47.4°C
Transport Information N/A Appearance colourless liquid with a strong and unpleasant odour
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.

Risk Codes 10-38
Molecular Structure Molecular Structure of 25013-15-4 (METHYLSTYRENE) Hazard Symbols Moderate fire risk. TLV: 50 ppm; STEL 100 ppm; not classifiable as a human carcinogen.
Synonyms

Styrene,ar-methyl- (8CI);Ethenylmethylbenzene;Tolylethylene;Vinyltoluene;

 

Vinyl toluene Consensus Reports

Reported in EPA TSCA Inventory.

Vinyl toluene Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 50 ppm; STEL 100 ppm; Not Classifiable as a Human Carcinogen
DFG MAK: 100 ppm (490 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Vinyl toluene Analytical Methods

For occupational chemical analysis use NIOSH: Hydrocarbons, Aromatic, 1501.

Vinyl toluene Specification

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.

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