Description

3-Vinyltoluene (CAS No. 100-80-1), also known as 3-Methylstyrene or m-Vinyltoluene, is a high-purity aromatic hydrocarbon with the molecular formula C₉H₁₀. This colorless to pale yellow liquid is a versatile monomer and intermediate in organic synthesis, widely used in polymer chemistry and specialty chemical manufacturing. With a boiling point of approximately 170-172°C and a density of 0.91 g/cm³, it exhibits excellent reactivity in radical polymerization and copolymerization reactions. Our product is rigorously tested to meet the highest purity standards (>98% by GC), ensuring consistent performance in research and industrial applications. Suitable for use under inert atmospheres, it is supplied in amber glass bottles or sealed metal containers to prevent polymerization and degradation.

Properties

• CAS Number: 100-80-1
• Complexity: 94.2
• IUPAC Name: 1-methyl-3-vinyl-benzene
• InChI: InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
• InChI Key: JZHGRUMIRATHIU-UHFFFAOYSA-N
• LogP: 3.580
• Exact Mass: 118.078250319
• Molecular Formula: C9H10
• Molecular Weight: 118.18
• SMILES: CC1=CC(=CC=C1)C=C
• Monoisotopic Mass: 118.078250319
• Physical Description: Colorless liquid;
• Color/Form: Liquid
• Boiling Point: 170 °C
• Melting Point: -86.3 °C
• Flash Point: 51 °C c.c.
• Solubility: In water, 89.0 mg/L at 25 °C
• Density: 0.9076 g/cu cm at 25 °C
• Vapor Density: Relative vapor density : 4.1
• Vapor Pressure: 1.70 mm Hg at 25 °C
• Stability/Shelf Life: Stable under recommended storage conditions. Contains the following stabilizer: 3,5-Di-tert-butylpyrocatechol
• Autoignition Temperature: 493 °C
• Odor Threshold: The odor threshold for vinyl toluene (55-70% meta and 30-45% para isomer) was reported to be similar to that for styrene, ie 50 ppm [240 mg/cu m].
• Refractive Index: Index of refraction: 1.5411 at 25 °C/D
• Synonyms: 3-Methylstyrene, 100-80-1, 1-Methyl-3-vinylbenzene, 3-Vinyltoluene, m-Vinyltoluene, 1-Ethenyl-3-methylbenzene, Benzene, 1-ethenyl-3-methyl-, M-METHYLSTYRENE, Styrene, m-methyl-, m-Methyl styrene, m-vinyl toluene, EINECS 202-889-2, FFK4I9430G, 3-Ethenylmethylbenzene, DTXSID9051454, METAMETHYL STYRENE, METHYLSTYRENE, M-, DTXCID201436, HSDB 8450, Benzene, 1-ethenyl-3(or 4)-methyl-, mMethylstyrene, mVinyltoluene, 3methylstyrene, mMethyl styrene, metaMethylstyrene, 3-vinyl toluene, Styrene, mmethyl, 1Methyl3vinylbenzene, 1Ethenyl3methylbenzene, Benzene, 1ethenyl3methyl, 202-889-2, 3-Methylstyrene (stabilized with TBC), 1-Methyl-3-ethenylbenzene, Vinyl toluene (65-71% m- and 32-35% p-), meta-Methylstyrene, UNII-FFK4I9430G, m-methyl-styrene, MFCD00008617, DSSTox_CID_1436, 1-ethenyl-3-methyl-benzene, DSSTox_RID_78088, DSSTox_GSID_26292, SCHEMBL15008, SCHEMBL292231, SCHEMBL316960, SCHEMBL1612394, SCHEMBL3209248, SCHEMBL4617401, SCHEMBL5125916, SCHEMBL6426311, CHEMBL1381662, SCHEMBL28307976, JZHGRUMIRATHIU-UHFFFAOYSA-, Tox21_200186, Tox21_303890, BBL103758, STL557568, AKOS009156836, NCGC00091079-01, NCGC00091079-02, NCGC00257740-01, NCGC00357147-01, AS-47795, CAS-100-80-1, CAS-25013-15-4, CS-0110437, M0260, NS00003045, F16162, Q2675854, InChI=1/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3, 3-Methylstyrene, 99%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor

Application

3-Vinyltoluene serves as a key monomer in the production of specialty polymers and resins, particularly for enhancing thermal stability and mechanical properties in copolymer systems. It is utilized in organic synthesis as a precursor for pharmaceuticals, agrochemicals, and advanced materials. Researchers employ this compound in studies of polymerization kinetics and as a model substrate in catalytic reactions.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]
• H315: Causes skin irritation [Warning Skin corrosion/irritation]
• H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Asp. Tox. 1 (97.4%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (97.4%)
• Acute Tox. 4 (96.7%)
• STOT SE 3 (31.4%)
• Aquatic Acute 1 (68%)
• Aquatic Chronic 1 (68%)

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