Allylbenzene

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Names

[ CAS No. ]:
300-57-2

[ Name ]:
Allylbenzene

[Synonym ]:
2-Propenylbenzene
Benzene,allyl
EINECS 206-095-7
Benzene,2-propenyl
3-Phenylpropene
1-allylbenzene
1-Benzylethene
phenylenemethyl-ethylene
1-Phenyl-2-propene
3-Phenyl-1-propene
1-benzylethylene
allyl-benzene
Allylbenzene
1-Propene,3-phenyl
MFCD00003412

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
157.3±10.0 °C at 760 mmHg

[ Melting Point ]:
557 °C

[ Molecular Formula ]:
C9H10

[ Molecular Weight ]:
118.176

[ Flash Point ]:
33.3±0.0 °C

[ Exact Mass ]:
118.078247

[ LogP ]:
3.24

[ Vapour Pressure ]:
3.6±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.512

[ Storage condition ]:
Flammables area

[ Stability ]:
Stable. Flammable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY2275000
CHEMICAL NAME :
Benzene, allyl-
CAS REGISTRY NUMBER :
300-57-2
BEILSTEIN REFERENCE NO. :
1098501
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H10
MOLECULAR WEIGHT :
118.19
WISWESSER LINE NOTATION :
1U2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5540 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 gm/kg/60D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R10;R65

[ Safety Phrases ]:
S23-S24/25-S62

[ RIDADR ]:
UN 3295 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
CY2275000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
29029080

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Phenylbutyric acid
  • allyl bromide
  • Phenylboronic acid
  • ALLYL CHLORIDE
  • Dichloromethane
  • Phenethylmagnesium chloride
  • TRIMETHYL(PHENYL)TIN
  • Allyl acetate
  • Chlorobenzene
  • 2-(tri-n-butylstannylmethyl)-3-phenylpropionate

DownStream

  • (3R)-1-phenylpent-1-en-3-ol
  • 3-Phenylpropene-3-ol
  • Acrylophenone
  • Oxirane,2-(phenylmethyl)-
  • Cinnamyl alcohol
  • 3-Phenyl-1-propylboronic acid pinacol ester
  • 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(1-phenylpropyl)
  • DL-benzylsuccinic acid
  • Cinnamyl bromide
  • Phenylacetic acid

Customs

[ HS Code ]: 2902909090

[ Summary ]:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%


Related Compounds

  • allylbenzene-d
  • allylbenzene oxide
  • allylbenzene ozonide
  • 2-chloroallylbenzene
  • o-methoxyallylbenzene
  • perfluoroallylbenzene
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 4-((1-phenyl-1H-tetrazol-5-yl)methyl)-N-(4-(trifluoromethyl)phenyl)piperazine-1-carboxamide
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide