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1-Ethenyl-3-methylbenzene

HCID 7529
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
100-80-1
Standard SMILES
C=Cc1cccc(C)c1
InChIKey
JZHGRUMIRATHIU-UHFFFAOYSA-N
Molecular formula
C9H10
Average molar mass
118.18 g/mol
Monoisotopic mass
118.07825032

Names & identifiers

Preferred name
1-Ethenyl-3-methylbenzene
IUPAC
1-ethenyl-3-methylbenzene
English name
3-METHYLSTYRENE
Molecular formula
C9H10
Molecular weight
118.18

Names & synonyms

1-Ethenyl-3-methylbenzene3-EthenylmethylbenzeneRefChem:5055073-Methylstyrene100-80-11-Methyl-3-vinylbenzene3-Vinyltoluenem-VinyltolueneBenzene, 1-ethenyl-3-methyl-M-METHYLSTYRENEStyrene, m-methyl-MFCD00008617
Show more names
3-Methylstyrolm-methyl-styrenM-Tolylethylenestyrene,m-methyl-
DTXSID9051454FFK4I9430G3-Methylstyrene (stabilized with TBC)m-Methyl styreneVinyl toluene (65-71% m- and 32-35% p-)meta-MethylstyreneEINECS 202-889-21-methyl-3-vinyl-benzene

Database identifiers

CAS
100-80-1、39294-88-7
PubChem CID
7529
DTXSID
DTXSID9051454
ChEMBL
CHEMBL1381662
UNII
FFK4I9430G
EC Number
202-889-2
Nikkaji
J3.593I

Properties

Computed structural propertiesFilling in

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
9
Formal charge
0
Complexity
94

Experimental & physicochemical properties

LogP3.580
Density · 3 items

0.9076 g/cu cm at 25 °C

0.91 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00

Color/FormLiquid
Solubility · 4 items

In water, 89.0 mg/L at 25 °C

Insoluble in water

Soluble in ethanol, ether, benzene

Solubility in water, mg/l at 25 °C: 89 (practically insoluble)

Flash Point51 °C c.c.
Boiling Point · 2 items

170 °C

164 °C

DecompositionWhen heated to decomposition it emits acrid smoke and irritating vapors.
Melting Point · 2 items

-86.3 °C

-86 °C

Vapor DensityRelative vapor density (air = 1): 4.1

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H304 (97.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard];H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (31.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (68%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (68%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, 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, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Benzene, 1-ethenyl-3-methyl-
Fire HazardsFlammable. Above 51 °C explosive vapour/air mixtures may be formed.
Hazards Summary · 1 item

May polymerize if heated; A skin, eye, and respiratory tract irritant; Inhalation of high concentrations may cause CNS effects; Repeated or prolonged exposure may cause kidney and liver injury; [ICSC] Stabilized with 4-tert-butylcatechol (CAS# 98-29-3); An irritant; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See 4-Vinyltoluene. Vinyltoluenes, stabilized (UN2618) has warning of explosive polymerization; [ERG 2016] See Vinyl toluene.

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

o-Vinyltoluene, m-vinyltoluene and p-vinyltoluene were given i.p. to rats and urine was analyzed for acidic metabolites by gas chromatography mass spectrometry. Different derivatives were prepared and used to identify the structure of the metabolites. Different types (11) of metabolites were found, although all metabolites were not produced from each vinyltoluene isomer. The metabolites identified were: methylphenylethylene glycol, methylmandelic acid, methylphenylglyoxylic acid, hydroxymethylphenylethylene glycol, carboxyphenylethylene glycol, hydroxymethylphenylglyoxylic acid, methylbenzoylglycine, methylphenylacetylglycine, vinylbenzoylglycine, N-acetylcysteine conjugate of methylphenylethanol and glucuronide of methylphenylethylene glycol. Metabolites (> 90%) recovered were excreted during the 1st 24 hr. For the sum of all metabolites, there was an approximately linear relation between given dose and recovered amount of metabolites. Repeated daily administration was not followed by any appreciable increase in metabolite excretion and no enzyme induction phenomenon was apparent.

Uses & manufacturing

Uses · 2 items

Used in mixtures with the para isomer (4-vinyltoluene) as a reactive monomer for polymer and coating production; [IARC]

Use in mixtures with other vinyltoluene isomers (3-vinyltoluene) as monomers for producing poly(vinyltoluene)

ImpuritiesContains the following stabilizer(s): 3,5-Di-tert-butylpyrocatechol (0.1 %)
Formulations/Preparations · 1 item

Commercial vinyl toluene is primarily a mixture of meta- and para-vinyl toluene, usually with 56-60% meta, 40-45% para and 1% ortho. It is available as a commercial product with the following characteristics: purity, 99.2 wt% minimum; polymer, 25 ppm maximum; and para-tert-butylcatechol (inhibitor), 10-15 ppm or 45-55 ppm.

Household ProductsInformation on 1 consumer products that contain 1-Ethenyl-3-methylbenzene in the following categories is provided:;• Home Maintenance

Related reactions

13 records
New reaction record
HRID 47372 reaction equation
HRID 47372As reactantuspto-grants-2004_03
HRID 200004 reaction equation
HRID 200004As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 428372 reaction equation
HRID 428372As reactantuspto-grants-2001_11
HRID 618282 reaction equation
HRID 618282As reactantuspto-grants-1999_09
HRID 724930 reaction equation
HRID 724930As reactantuspto-grants-1998_01
HRID 826399 reaction equation
HRID 826399As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1012180 reaction equation
HRID 1012180As reactantuspto-grants-2011_07
HRID 1601030 reaction equation
HRID 1601030As reactantuspto-grants-1999_11
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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].
PolymerizationVinyl toluene is a reactive monomer which polymerizes to form a clear, colorless polymer.
Vapor Pressure · 2 items

1.70 mm Hg at 25 °C

Vapor pressure, kPa at 20 °C: 0.23

Physicochemical properties

Melting point
-82 · -82--81 °C (lit.)
Boiling point
170 · 170-171 °C (lit.)
Density
0.89 g/mL · 0.89 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.541(lit.)
Flash point
124 °F · 124 °F
storage temp.
2 · Sealed in dry,2-8°C
form
clear liquid
color
Colorless to Light yellow
Water Solubility
Soluble in Methanol, Ether, Benzene, Acetone, Ethanol, Heptane. Soluble in water (0.09 g/L) at 20°C.
BRN
1304618 · 1304618
Henry's Law Constant
3 · 3.0×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
Exposure limits
10 ppm · TLV-TWA: 10 ppm
InChI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKey
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C1(C=C)=CC=CC(C)=C1
CAS DataBase Reference
100 · 100-80-1(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
4 I9430G · FFK4I9430G
EPA Substance Registry System
m-Vinyltoluene (100-80-1)
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
2 · GHS02,GHS07,GHS08
Signal word
Danger
Hazard statements
226 · H226-H304-H315-H319-H332-H335
Precautionary statements
210 · P210-P301+P310+P331-P302+P352-P304+P340+P312-P305+P351+P338
target organs
Respiratory system
Hazard Codes
Xn
Risk Statements
10 · 10-20-36/37/38-65
Safety Statements
26 · 26-36-62
RIDADR
2618 · UN 2618 3/PG 3
WGK Germany
3 · 3
RTECS
5075800 · WL5075800
TSCA
TSCA listed
HazardClass
3 · 3
PackingGroup
III
HS Code
29029090 · 29029090
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
4 InhalationAsp · Acute Tox. 4 InhalationAsp. Tox. 1Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Hazardous Substances Data
100 · 100-80-1(Hazardous Substances Data)
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Chemical DangersThe substance may polymerize if it is not stabilized. This generates fire or explosion hazard. Reacts violently with strong oxidants and strong acids.
Physical DangersVapours are uninhibited and may polymerize, causing blockage of vents.
Packaging and LabellingMarine pollutant.
DOT Emergency Guidelines · 5 items

/GUIDE 130P FLAMMABLE LIQUIDS (Water-Immiscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Vinyltoluenes, stabilized/

/GUIDE 130P FLAMMABLE LIQUIDS (Water-Immiscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Vinyltoluenes, stabilized/

/GUIDE 130P FLAMMABLE LIQUIDS (Water-Immiscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind, uphill and/or upstream. Ventilate closed spaces before entering. /Vinyltoluenes, stabilized/

/GUIDE 130P FLAMMABLE LIQUIDS (Water-Immiscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Vinyltoluenes, stabilized/

For more DOT Emergency Guidelines (Complete) data for 3-Vinyltoluene (8 total), please visit the HSDB record page.

NIOSH RecommendationsRecommended Exposure Limit: 10 Hour Time-Weighted Average: 100 ppm (480 mg/cu m). /Vinyl toluene/
Hazard Classes and CategoriesFlam. 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%)
Shipment Methods and Regulations · 3 items

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials. Vinyltoluenes, stabilized are is included on the dangerous goods list. /Vinyltoluenes, stabilized/

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article. Vinyltoluenes, stabilized are included on the dangerous goods list. /Vinyltoluenes, stabilized/

Shipping Name/ Number DOT/UN/NA/IMO · 2 items

UN 2618; Vinyltoluenes, stabilized

IMO 3; Vinyltoluenes, stabilized

Safety & protection

Fire FightingUse water spray, foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Safe StorageFireproof. Separated from strong oxidants and strong acids. Well closed. Store only if stabilized. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Firefighting HazardsSpecial hazards arising from the substance or mixture: Carbon oxides
Fire Fighting Procedures · 1 item

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary. Further information: Use water spray to cool unopened containers.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Storage class (TRGS 510): Flammable liquids
Cleanup Methods · 1 item

ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations

Disposal Methods · 2 items

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.

Spillage Disposal · 1 item

Remove all ignition sources. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance, protective clothing and protective gloves. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Preventive Measures · 5 items

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.

ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

For more Preventive Measures (Complete) data for 3-Vinyltoluene (7 total), please visit the HSDB record page.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 51 °C use a closed system, ventilation and explosion-proof electrical equipment.

Toxicology

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 720(SRC), determined from a structure estimation method(2), indicates that 3-vinyltoluene is expected to have low mobility in soil(SRC). Volatilization of 3-vinyltoluene from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 3.0X10-3 atm-cu m/mole(SRC) based upon its vapor pressure, 1.7 mm Hg(3), and water solubility, 89 mg/L(4). 3-Vinyltoluene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Biodegradation data in soil were not available(SRC, 2018).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 720(SRC), determined from a structure estimation method(2), indicates that 3-vinyltoluene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 3.0X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.7 mm Hg(4), and water solubility, 89 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.5 hours and 4.4 days, respectively(SRC). 3-Vinyltoluene is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(6), a BCF of 35 measured in goldfish(7), suggests bioconcentration in aquatic organisms is moderate. Biodegradation data in water were not available(SRC, 2018).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3-vinyltoluene, which has a vapor pressure of 1.7 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-vinyltoluene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC); the half-lives for these reactions in air are estimated to be 12 and 13 hours(SRC), calculated from its estimated rate constants of 3.1X10-11 and 2.1X10-17 cu cm/molecule-sec, respectively(3). 3-Vinyltoluene absorbs at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome;Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity Summary · 1 item

IDENTIFICATION AND USE: 3-Vinyltoluene is a monomer of vinyltoluene. Vinyl toluene is used in the coatings industry as a modifier for drying oils and oil-modified alkyds. It is also used as a replacement for styrene in unsaturated polyester resins where high-temperature cures and little shrinkage are desired. HUMAN STUDIES: Central nervous system effects, such as depression, poor memory, slow visuomotor performance and electrophysiological changes, have often been associated with heavy occupational exposure to vinyl toluenes. Contact allergy to styrene related compounds was studied in a human subject. A patient known from previous studies to be sensitive to styrene was patch tested with styrene and 18 compounds structurally related to styrene. Positive results were obtained with 3-methylstyrene. Vinyl toluene induces sister chromatid exchange and chromosomal aberrations in cultured human lymphocytes. ANIMAL STUDIES: Specific depletion of brain dopamine levels has been described in rabbits. In male rats exposed by inhalation to up to 300 ppm vinyl toluene (60-70% meta and 30-70% para isomer) for a maximum of 15 weeks, decreased motor conductivity velocity was observed within 12 weeks. In 2-year inhalation studies (mixed isomers: 65%-71% meta and 32%-35% para), there was no evidence of carcinogenic activity for male or female rats exposed to 100 or 300 ppm vinyl toluene and no evidence of carcinogenic activity for male or female mice exposed to 10 or 25 ppm. There was evidence of chemical-related toxicity to the nasal passage in both rats and mice. Vinyl toluene did not induce gene mutations in S. typhimurium strains TA98, TA100, TA1535, or TA1537 with or without exogenous metabolic activation. Vinyl toluene was positive in the mouse lymphoma assay for induction of trifluorothymidine resistance in L5178Y/TK cells in the absence of metabolic activation. Vinyl toluene did not induce sister chromatid exchanges or chromosomal aberrations in CHO cells with or without meta

Signs and Symptoms · 4 items

Sore throat. Cough. Dizziness. Headache. Drowsiness. Vomiting. Lethargy.

Dry skin. Redness.

Redness. Pain.

Aspiration hazard! Abdominal pain. Nausea. Vomiting.

Ongoing Test Status · 1 item

EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPA; ICSS Dashboard Application; Available from, as of February 4, 2019: http://actor.epa.gov/dashboard/]

Effluent Concentrations · 1 item

Motorboats emitted 3-vinyltoluene to canal water; concentrations were not reported(1). Use of unleaded gasoline by a four-stroke outboard motor emitted 3-vinyltoluene to test water at 6.2 mg/10 min(2). 3-Vinyltoluene was detected in the leachate plume of Norman, OK landfill sampled Nov 1995 and Apr 1996(3).

ICSC Environmental DataThe substance is toxic to aquatic organisms. Bioaccumulation of this chemical may occur in the environment. It is strongly advised not to let the chemical enter into the environment.
Soil Adsorption/Mobility · 1 item

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-vinyltoluene can be estimated to be 720(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-vinyltoluene is expected to have low mobility in soil(SRC).

Human Toxicity Excerpts · 3 items

/HUMAN EXPOSURE STUDIES/ Contact allergy to styrene related compounds was studied in a human subject. A patient known from previous studies to be sensitive to styrene was patch tested with styrene and 18 compounds structurally related to styrene. Positive results were obtained with 2-methylstyrene, 3-methylstyrene, 4-methylstyrene, styrene-epoxide, and 4-hydroxystyrene. The reaction to styrene-epoxide was stronger than that obtained by patch testing with an equimolar concentration of styrene, 0.1 percent weight per volume in ethanol. Twenty one comparisons were subsequently patch tested with styrene-epoxide. All responses were negative. The authors note that the stronger reaction to styrene-epoxide, as compared to an equimolar concentration of styrene, may indicate that styrene-epoxide is the hapten and styrene is the prohapten, which has to be oxidized in the skin in order to be converted into styrene-epoxide. Styrene-epoxide can be formed from styrene by enzymatic transformation by aryl-hydrocarbon-hydroxylase in the skin. They conclude that it is important to patch test with chemically related substances in order to evaluate the total sensitivity pattern of a patient.

/SIGNS AND SYMPTOMS/ Central nervous system effects, such as depression, poor memory, slow visuomotor performance and electrophysiological changes, have often been associated with heavy occupational exposures to vinyl toluenes. Information is not available on human exposure to vinyl toluene alone. /Vinyl toluenes/

/GENOTOXICITY/ ... In human lymphocytes exposed in whole blood cultures, vinyl toluene induced both sister chromatid exchange and chromosomal aberrations in a dose-dependent manner, in the absence of exogenous metabolic activation. The induction of sister chromatid exchange was dependent on the number of erythrocytes present. Significant increases in the frequencies of sister chromatid exchange were observed in human lymphocytes exposed in whole blood cultures to ortho, meta and para isomer. The strongest responses were seen with the meta and para isomers, which are the dominant species in vinyl toluene.

Artificial Pollution Sources3-Vinyltoluene's production and use as a laboratory chemical(1) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationA BCF of 35 was measured for 3-vinyltoluene in goldfish(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

Regulatory information

Regulatory InformationChemical: Benzene, 1-ethenyl-3-methyl-

Safety data

wgk
3
tsca
TSCA listed
rtecs
WL5075800
ridadr
UN 2618 3/PG 3
hs_code
29029090
risk_code
10-20-36/37/38-65
Signal word
Danger
Symbol(GHS)
GHS02,GHS07,GHS08
hazard_code
Xn
safety_code
26-36-62
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
III
target organs
Respiratory system
Hazard statements
H226-H304-H315-H319-H332-H335
Hazard Classifications
Acute Tox. 4 InhalationAsp. Tox. 1Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements
P210-P301+P310+P331-P302+P352-P304+P340+P312-P305+P351+P338
Hazardous Substances Data
100-80-1(Hazardous Substances Data)
General Manufacturing InformationBenzene, 1-ethenyl-3-methyl-: ACTIVE

Applications

Uses3-Methylstyreneis used as pharmaceutical intermediates.

Upstream & downstream products

Downstream products

3-Methylphenethyl alcohol1-PHENYL-1-PROPYNE3-Methylphenylacetaldehyde dimethyl acetal

Suppliers4 total

ABCR[email protected]
HONEST JOY HOLDINGS LIMITED[email protected]
SIGMA—
SIGMAALDRICH—