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300-57-2

300-57-2 Structure

300-57-2 Structure
IdentificationMore
[Name]

Allylbenzene
[CAS]

300-57-2
[Synonyms]

3-PHENYL-1-PROPENE
3-PHENYLPROPENE
ALLYLBENZENE
SILVER(I) IODIDE
SILVER IODIDE
1-benzylethene
1-Phenyl-2-propene
1-Propene, 3-phenyl-
1-propene,3-phenyl-
2-propenyl-benzen
2-Propenylbenzene
allyl-benzen
Benzene, allyl-
Benzene,2-propenyl-
Allylbenzene,98%
Allylbenzol, 3-Phenyl-1-propen, 2-Propenylbenzol
benzyl ethylene
ALLYBENZENE
Prop-2-enylbenzene
1-Allylbenzene
[EINECS(EC#)]

206-095-7
[Molecular Formula]

C9H10
[MDL Number]

MFCD00003412
[Molecular Weight]

118.18
[MOL File]

300-57-2.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

557 °C
[Boiling point ]

156-157 °C (lit.)
[density ]

0.892 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.511(lit.)
[Fp ]

92 °F
[storage temp. ]

Flammables area
[solubility ]

0.017g/l insoluble
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[Specific Gravity]

0.892
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Water Solubility ]

insoluble
[BRN ]

1098501
[Dielectric constant]

2.6299999999999999
[InChI]

1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
[InChIKey]

HJWLCRVIBGQPNF-UHFFFAOYSA-N
[SMILES]

C=CCc1ccccc1
[CAS DataBase Reference]

300-57-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 2-propenyl-(300-57-2)
[EPA Substance Registry System]

300-57-2(EPA Substance)
Hazard InformationBack Directory
[Chemical Properties]

Allylbenzene is a colorless, flammable chemical, incompatible with strong oxidizing agents. On decomposition, allylbenzene releases carbon monoxide and carbon dioxide.
[Health Hazard]

Exposures to allylbenzene cause irritation to the skin, eyes, and respiratory system. It causes harmful effects if inhaled or swallowed and causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
[Uses]

Allylbenzene is used in organic synthesis.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 95, p. 7777, 1973 DOI: 10.1021/ja00804a039
[Toxics Screening Level]

The initial threshold screening level (ITSL) for allyl benzene is 5 μg/m3 based on an annual averaging time.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
[Signal word ]

Danger
[Hazard statements ]

H226-H304
[Precautionary statements ]

P210-P301+P310+P331
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R65:Harmful: May cause lung damage if swallowed.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
[RIDADR ]

UN 3295 3/PG 3
[WGK Germany ]

3
[RTECS ]

CY2275000
[F ]

8
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29029080
[storage]

Allylbenzene should be kept stored in a cool, dry, well-ventilated area with adequate ventilation during use.
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Asp. Tox. 1
Flam. Liq. 3
[Precautions]

Workers while handling allylbenzene should not breathe dust or vapor, or ingest the chemical substance. Allylbenzene should only be used in a chemical fume hood and sources of ignition should be avoided. Workers should wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA protection regulations.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromobenzene-->Allyl bromide-->Benzene, 1,1'-(1,5-pentanediyl)bis--->(2,3-EPOXYPROPYL)BENZENE-->PHENETHYLMAGNESIUM CHLORIDE-->3-PHENYL-1-PROPYNE-->4-PHENYLBUTANAL-->TRIMETHYL(PHENYL)TIN-->Allyltributyltin-->Allyl chloride-->Biphenyl-->Vinylmagnesium bromide-->4-Phenylbutyric acid
[Preparation Products]

cis-Anethol-->Stugeron-->PROPENYL GUAETHOL-->DL-Methamphetamine-->1-AMINO-3-PHENYL-PROPAN-2-OL-->DI-P-TOLYLMETHANE-->2-BROMO-1-PHENYLPROPANE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Phenyl-1-propene(300-57-2).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Allylbenzene(300-57-2)1HNMR
Allylbenzene(300-57-2)13CNMR
Allylbenzene(300-57-2)IR1
Allylbenzene(300-57-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Allylbenzene, 98%(300-57-2)
[Alfa Aesar]

Allylbenzene, 98%(300-57-2)
[Sigma Aldrich]

300-57-2(sigmaaldrich)
[TCI AMERICA]

Allylbenzene,>95.0%(GC)(300-57-2)
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