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alpha-Methylstyrene dimer

HCID 22521
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Grundinformationen

CAS
6144-04-3
Standard-SMILES
C=C(C)c1ccccc1.C=C(C)c1ccccc1
InChIKey
XYLMUPLGERFSHI-UHFFFAOYSA-N
Summenformel
(C9H10)2
Durchschnittliche Molmasse
236,4 g/mol
Monoisotopische Masse
236,15650064

Namen und Bezeichner

Bevorzugter Name
alpha-Methylstyrene dimer
IUPAC
prop-1-en-2-ylbenzene
Englischer Name
α-Methylstyrene dimer
Summenformel
C9H10
Molmasse
118.18

Namen und Synonyme

ALPHA-METHYLSTYRENE DIMERStyrene, alpha-methyl-, dimerHSDB 6149RefChem:111330Styrene, alphamethyl, dimerDTXSID2051473Benzene, (1methylethenyl), dimeralpha-Methyl Styrene DimerSCHEMBL472891Benzene, (1-methylethenyl)-, dimer

Datenbank-Bezeichner

CAS
6144-04-3
PubChem CID
22521

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
18
Formalladung
0
Komplexität
96,6

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Styrenes
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physikochemische Eigenschaften

Henry's Law Constant
1.1 · 1.1×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
EPA chemische Informationen
.alpha.-Methylstyrene dimer (6144-04-3)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzene, (1-methylethenyl)-, dimer

Benzene, (1-methylethenyl)-, dimer: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummarySee alpha-Methyl styrene.
Shipment Methods and Regulations · 2 Einträge

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 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.

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

UN 2618; Methyl styrenes, inhibited

IMO 3.3; Methyl styrenes, inhibited

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

Used as a chain transfer agent for styrene and styrene polymers; [HSDB]

CHAIN TRANSFER AGENT (COMMERCIALLY SIGNIFICANT) FOR STYRENE & STYRENE POLYMERS

RESEARCH CHEMICAL, EG, IN FLUID APPLICATIONS

U.S. Imports(1979) 5.54X10+7 G (PRINCIPLE CUSTOMS DISTRICTS)
U.S. Production(1977) 4.99X10+8 G MIN (MAY BE CAPTIVE PRODUCTION)
General Manufacturing Information · 3 Einträge

Benzene, (1-methylethenyl)-, dimer: ACTIVE

PROBABLY MANUFACTURED BY IONIC CATALYSIS OF ALPHA-METHYLSTYRENE MONOMER; MAY BE AN UNISOLATED INTERMEDIATE IN POLY(ALPHA-METHYLSTYRENE) MANUFACTURE.

alpha-Methylstyrene can be dimerized at 40-120 °C with p-toluenesulfonic acid as catalyst.

Zugehörige Reaktionen

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Reaktionsgleichung von HRID 640034
HRID 640034als Produktuspto-grants-2010_04
Reaktionsgleichung von HRID 640035
HRID 640035als Produktuspto-grants-2010_04
Reaktionsgleichung von HRID 640036
HRID 640036als Produktuspto-grants-2010_04
Reaktionsgleichung von HRID 640037
HRID 640037als Produktuspto-grants-2010_04
Reaktionsgleichung von HRID 726773
HRID 726773als Produktuspto-grants-1998_01
Reaktionsgleichung von HRID 1162790
HRID 1162790als Produktuspto-grants-2010_10
Reaktionsgleichung von HRID 1162791
HRID 1162791als Produktuspto-grants-2010_10
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Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 160,000(SRC), determined from a structure estimation method(2), indicates that alpha-methylstyrene dimer is expected to be immobile in soil(SRC). Volatilization of alpha-methylstyrene dimer from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 9.2X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). alpha-Methylstyrene dimer is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.3X10-4 mm Hg(SRC), determined from a fragment constant method(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 160,000(SRC), determined from a structure estimation method(2), indicates that alpha-methylstyrene dimer 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 9.2X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3 hrs and 7 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 21,000(SRC), from an estimated log Kow of 6.5 and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is very high(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), alpha-methylstyrene dimer, which has an estimated vapor pressure of 2.3X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase alpha-methylstyrene dimer 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 7 and 2 hrs, respectively(SRC), calculated from its rate constants of 5.9X10-11 cu cm/molecule-sec and 1.4X10-16 cu cm/molecule-sec at 25 °C, respectively(SRC), derived using a structure estimation method(4).

Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for alpha-methylstyrene dimer can be estimated to be 160,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-methylstyrene dimer is expected to be immobile in soil(SRC).

Artificial Pollution Sources · 1 Eintrag

alpha-Methylstyrene dimer's production and use as a chain transfer agent(1) may result in its release to the environment through various waste streams(SRC). alpha-Methylstyrene dimer is also a by-product of alpha-methylstyrene polymerization(1). Hence alpha-methylstyrene dimer may be released to the environment via effluents from alpha-methylstyrene polymerization(SRC).

Environmental BiodegradationData regarding the biodegradation of alpha-methylstyrene dimer in either soil or aquatic systems were not available. (SRC)
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 21,000 was calculated for alpha-methylstyrene dimer(SRC), using an estimated log Kow of 6.5 and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is very high(SRC).

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for alpha-methylstyrene dimer is estimated as 9.2X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that alpha-methylstyrene dimer is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 6 days(SRC). alpha-Methylstyrene dimer's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Methylstyrene dimer is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.3X10-4 mm Hg(SRC), determined from a fragment constant method(3).

Environmental Abiotic Degradation · 1 Eintrag

The rate constant for the vapor-phase reaction of alpha- methylstyrene dimer with photochemically-produced hydroxyl radicals has been estimated as 5.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 6 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of alpha-methylstyrene dimer with ozone has been estimated as 1.4X10-16 cu cm/molecule-sec at 25 °C(SRC) derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 2 hrs at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2). alpha-Methylstyrene dimer is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3).

Probable Routes of Human ExposureOccupational exposure to alpha-methylstyrene dimer may occur through dermal contact with this compound at workplaces where alpha-methylstyrene dimer is produced or used. (SRC)
Environmental Fate/Exposure Summary · 1 Eintrag

alpha-Methylstyrene dimer's production and use as a chain transfer agent may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 2.3X10-4 mm Hg at 25 °C indicates alpha-methylstyrene dimer will exist solely as a vapor in the ambient atmosphere. Vapor-phase alpha-methylstyrene dimer will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone; the half-lives for these reactions in air are estimated to be 7 and 2 hrs, respectively. If released to soil, alpha-methylstyrene dimer is expected to have no mobility based upon an estimated Koc of 160,000. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 9.2X10-4 atm-cu m/mole. If released into water, alpha-methylstyrene dimer is expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 3 hrs and 7 days, respectively. An estimated BCF of 21,000 suggests the potential for bioconcentration in aquatic organisms is very high. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to alpha-methylstyrene dimer may occur through dermal contact with this compound at workplaces where alpha-methylstyrene dimer is produced or used. (SRC)

Antidote and Emergency Treatment · 2 Einträge

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

Sicherheitsdaten

tsca
TSCA listed
Giftige Stoffe Daten
6144-04-3(Hazardous Substances Data)