Alpha-Methylstyrene

HCID 7407CAS 98-83-9

Basic information

Standard SMILES
C=C(C)c1ccccc1
InChIKey
XYLMUPLGERFSHI-UHFFFAOYSA-N
Molecular formula
C9H10
Average molar mass
118.18 g/mol
Monoisotopic mass
118.07825032

Overview

α-Methyl styrene (alpha-Methylstyrene) can cause cancer and female reproductive toxicity according to California Labor Code.

Names & identifiers

Preferred name
Alpha-Methylstyrene
IUPAC
prop-1-en-2-ylbenzene
English name
2-Phenyl-1-propene
Molecular formula
C9H10
Molecular weight
118.18

Names & synonyms

alpha-Methylstyrene98-83-92-Phenylpropene2-Phenyl-1-propene2-PhenylpropyleneBenzene, (1-methylethenyl)-1-Methyl-1-phenylethylenealpha-Methylstyrol1-Phenyl-1-methylethylenebeta-Phenylpropylene1-Methyl-1-phenylethenebeta-Phenylpropene
Show more names
AMSΑ-METHYLSTYRENEISOPROPENYLBENZENEà-methylstyreneA-METHYL STYRENE(1-Methylethenyl)benzeneα-Methylphenylene
as-MethylphenylethyleneALPHA-METHYL STYRENE1-Propene, 2-phenyl-2-Phenyl-2-propeneIsopropenyl-benzolIsopropenil-benzoloIsopropenyl-benzeenalpha-methyl-styrene

Database identifiers

CAS
98-83-9
PubChem CID
7407
DTXSID
DTXSID9025661
ChEMBL
CHEMBL1344773
ChEBI
CHEBI:35060
UNII
D46R9753IK
EC Number
202-705-0
Nikkaji
J3.582C

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical Classes · 2 items

Flammable agents - 2nd degree

Industrial compound

PolymersPlastics & Rubber -> Styrenes
SpringerMaterials PropertiesBoiling point
LogP · 2 items

log Kow= 3.48

3.38

Odor · 2 items

... Characteristic odor.

Sharp aromatic odor

Density · 6 items

0.91 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9106

Critical volume, 3.26 ml/g; critical density, 0.29 g/ml; specific heat of liquid, 2.0460 J/g deg K at 40 °C, & 2.1757 J/g deg K at 100 °C; specific heat of vapor, 1.2357 J/g deg K at 25 °C; heat of formation of liquid, 112.97 kJ/mol at 25 °C; heat of polymerization, 39.75 kJ/mol; cubical coefficient of expansion, 9.774X10-4 at 20 °C

Relative density (water = 1): 0.91

0.91

0.913 @ 17°C

Physicochemical properties

Melting point
24 °C · −24 °C(lit.)
Boiling point
165 · 165-169 °C(lit.)
Density
0.909 g/mL · 0.909 g/mL at 25 °C(lit.)
vapor density
4.1 · 4.1 (vs air)
vapor pressure
2.1 mm · 2.1 mm Hg ( 20 °C)
refractive index
20 · n20/D 1.539

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

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, P305+P354+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)

Hazard information

Regulatory Information · 6 items

Chemical: Benzene, (1-methylethenyl)-

Hazard Traits - Carcinogenicity

Council Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))

Benzene, (1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (1-methylethenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15309

Benzene, (1-methylethenyl)-: HSNO Approval: HSR001181 Approved with controls

Other Safety InformationIMAP assessments - Benzene, (1-methylethenyl)-: Human health tier II assessment
DOT LabelFlammable Liquid
Fire Hazards · 3 items

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Flammable. Above 54 °C explosive vapour/air mixtures may be formed.

Fire Potential · 3 items

Moderate fire risk.

Readily ignites on slight heating.

Flammable

Health Hazards · 2 items

Inhalation causes irritation of respiratory tract, headache, dizziness, light-headedness, and breathlessness. Ingestion causes irritation of mouth and stomach. Contact with liquid irritates eyes. Prolonged skin contact can cause severe rashes, swelling, and blistering. (USCG, 1999)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.

Safety & protection

Fire Fighting · 2 items

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Use 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.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

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

Rinse mouth.

Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 items

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

(General first aid procedures)

Safe StorageStore only if stabilized. Store in an area without drain or sewer access. Fireproof. Well closed. Separated from strong oxidants.
Exposure Control and Personal Protection · 2 items

· Wear positive pressure self-contained breathing apparatus (SCBA).

50.0 [ppm]

Toxicology

Body BurdenAn unidentified isomer of alpha-methylstyrene was detected in 2 of 12 samples of human breast milk taken from women in 4 USA cities(1).
Target OrgansEyes, skin, respiratory system, central nervous system
Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,900(SRC), determined from a log Kow of 3.48(2) and a regression-derived equation(3), indicates that alpha-methylstyrene is expected to have low mobility in soil(SRC). Volatilization of alpha-methylstyrene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.6X10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 1.9 mm Hg(4), and water solubility, 116 mg/l(5). The potential for volatilization of alpha-methylstyrene from dry soil surfaces may exist(SRC) based upon its vapor pressure(4). alpha-Methylstyrene, present at 100 mg/l, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(6). Therefore this compound is not expected to biodegrade in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,900(SRC), determined from a log Kow of 3.48(2) and a regression-derived equation(3), indicates that alpha-methylstyrene 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 2.6x10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 1.9 mm Hg(4), and water solubility, 116 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 4 hrs and 4 days, respectively(SRC). According to a classification scheme(6), a BCF of 30 for goldfish(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). alpha-Methylstyrene, present at 100 mg/l, reached 0% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(6). Therefore this compound is not expected to biodegrade in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), alpha-methylstyrene, which has a vapor pressure of 1.9 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase alpha-methylstyrene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC); the half-life for these reactions in air are estimated to be 7 and 2 hrs, respectively(SRC), calculated from rate constants of 5.2X10-11 cu cm/molecule-sec at 25 °C(3) and 1.4X10-16 cu cm/molecule-sec(4), respectively.

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 items

The substance can be absorbed into the body by inhalation.

inhalation, ingestion, skin and/or eye contact

Milk ConcentrationsAn unidentified isomer of alpha-methylstyrene was detected in 2 of 12 samples of human breast milk taken from women in 4 USA cities(1).

Regulatory information

TSCA Requirements · 1 item

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Benzene, (1-methylethenyl)- is included on this list.

Atmospheric Standards · 1 item

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. alpha-Methylstyrene is produced, as an intermediate or a final product, by process units covered under this subpart.

Safety data

OEB
A
OEL
TWA: 50 ppm (240 mg/m3), STEL: 100 ppm (485 mg/m3)
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
IDLA
700 ppm
tsca
TSCA listed

Chemistry & industry

Pharmacology

Absorption, Distribution and Excretion · 1 item

ALPHA-METHYLSTYRENE AT 0.1 ML ON A WATCH GLASS WAS PUT IN CONTACT WITH HUMAN SKIN & AFTER 10 MIN THE REMAINING AMOUNT WAS DISSOLVED WITH ETHYL ALC & DETERMINED BY SPECTROPHOTOMETER. THE ABSORPTION RATE OF PURE ALPHA-METHYLSTYRENE WAS 19.5 MG/SQ CM, & AQ SOLN VARIED FROM 0.048-0.256 MG/SQ CM DEPENDING ON THE TEMP & CONCN. THE EXCRETION KINETICS OF ALPHA-METHYLSTYRENE METABOLITES IS A FIRST-ORDER PROCESS.

Cellular LocationsMembrane

Uses & manufacturing

Uses · 6 items

Used as a polymerization monomer; [ACGIH]

Polymerization monomer, especially for polyesters

USED AS A THIRD MONOMER TO RAISE THE GLASS TRANSITION TEMPERATURE IN ACRYLONITRILE-BUTADIENE-STYRENE RUBBER-THERMOPLASTIC RESIN.

Polyvinyl chloride/high temperature ABS comonomer; reactive diluent (unsaturated polyester resins)

USED AS A UV DEGRADATION INHIBITOR IN ACRYLONITRILE-BUTADIENE-STYRENE RESINS

THE DOMINANT MERCHANT MARKET APPLICATION IS AS A COMONOMER IN ACRYLONITRILE-BUTADIENE-STYRENE RESINS

Impurities · 2 items

Contaminated by (max concn) cumene (0.15%), n-propylbenzene (0.20%), sec-butylbenzene (0.40%), tert-butylbenzene (0.40%), trans-2-phenylbutane-2 (0.05%), 2-phenylbutene-1 (0.01%), dimers (0.01%), polymers(0.01%), phenol (0.005%), and p-tert-butylcatechol (as stabilizer; 0.005%).

beta-Methylstyrene is an impurity contained in alpha-methylstyrene at a concn of about 0.5% by weight(1).

U.S. Imports(1975) 4.63X10+6 G (PRINCIPLE CUSTOMERS DISTRICTS)
U.S. Production · 5 items

2023: 70,000,000 - <85,000,000 lb

(1972) 1.7X10+10 G (1983) 45.537x10+6 lb (USITC, 1984).

(1975) 1.36X10+10 G

(1988) 131 million lb (est as of Jan 1, 1988)

(1993) 2.25X10+10 g

Consumption Patterns · 5 items

62.5% AS A MONOMER FOR POLY(ALPHA-METHYL STYRENE); 37.5% FOR STYRENATED OILS FOR SURFACE COATINGS (1971)

ACRYLONITRILE-BUTADIENE-STYRENE RESINS, 34%; COATINGS, INCLUDING ADHESIVES, 14%; POLYESTER RESINS, 4%; MISCELLANEOUS, 8%; EXPORTS, 40% (1984)

/END USE PATTERN MERCHANT MARKET ONLY/ ACRYLONITRILE-BUTADIENE-STYRENE RESINS, 70%; HYDROCARBON RESINS, 15%; UNSATURATED POLYESTER & ALKYD RESINS, 10%; MISCELLANEOUS, 5% (1983)

CHEMICAL PROFILE: alpha-Methylstyrene. Demand: 1985: 48 million lb; 1986: 49 million lb; 1990 /projected/: 54.5 million lb.

For more Consumption Patterns (Complete) data for ALPHA-METHYL STYRENE (6 total), please visit the HSDB record page.

Consumer UsesSizing agent
Applications · 5 items

DescriptionMethylstyrene is a colorless liquid with a characteristic odor. Molecular weight = 118.19; Specific gravity(H2O:1) 5 0.91; Boiling point = 165.6℃; Freezing/Meltingpoint 5 2 23.3℃; Vapor pressure 5 2 mmHg at 20℃;Flash point = 54℃; Autoignition temperature 5 574℃.Explosive limits: LEL 5 1.9%; UEL 5 6.1%. HazardIdentification (based on NFPA-704 M Rating System):Health 1, Flammability 2, Reactivity 0. Insoluble in water.Potential Exposure: Tumorigen,Mutagen, Human Data; Primary Irritant. Methylstyrene isused as an additive, a plasticizer, and as a copolymer; usedin the production of modified polyester and alkyd resinformulations.

UsesIntermediate for ABS plastics, Styrene - Butadiene rubber, Polystyrene, Styrene - Acrylonitrile Resins, Perfumery, Polyalphamethyl Styrene, Polyester resins

UsesPolymerization monomer, especially forpolyesters.

Usesα-Methylstyrene is not a styrenic monomer in the strict sense. The methyl substitution on the side chain, rather than the aromatic ring, moderates its reactivity in polymerization. It is used as a specialty monomer in ABS resins, coatings, polyester resins, and hot-melt adhesives. As a copolymer in ABS and polystyrene, it increases the heat-distortion resistance of the product. In coatings and resins, it moderates reaction rates and improves clarity.

General DescriptionA colorless liquid. Insoluble in water and less dense than water. Flash point 115°F. May be mildly toxic by ingestion, inhalation and skin absorption. Vapors may be narcotic by inhalation. Used as a solvent and to make other chemicals.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

Additional notes

DefinitionChEBI: Alpha-Methylstyrene is an olefinic compound.

Related reactions

258 records

Linked notes

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