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| CAS No.: | 96-09-3 |
|---|---|
| Name: | Styrene oxide |
| Article Data: | 724 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8O |
| Molecular Weight: | 120.151 |
| Synonyms: | Benzene,(epoxyethyl)- (8CI);Ethane, 1,2-epoxy-1-phenyl- (7CI);Oxirane, phenyl- (9CI);(Epoxyethyl)benzene;1,2-Epoxyethylbenzene;1-Phenyl-1,2-epoxyethane;2-Phenyloxirane;Epoxystyrene;NSC 637;NSC 7582;Phenylethylene oxide;Styrene 1',2'-oxide;a,b-Epoxystyrene; |
| EINECS: | 202-476-7 |
| Density: | 1.107 g/cm3 |
| Melting Point: | -37 °C |
| Boiling Point: | 193.9 °C at 760 mmHg |
| Flash Point: | 79.4 °C |
| Solubility: | water: 3 g/L (20 °C) |
| Appearance: | colourless to light yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45-21-36 |
| Safety: | 53-45 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 12.53000 |
| LogP: | 1.75790 |
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Chemistry
IUPAC Name: 2-phenyloxirane
Empirical Formula: C8H8O
Molecular Weight: 120.1485g/mol
EINECS: 202-476-7
Structure of Oxirane, 2-phenyl (CAS NO.96-09-3):
Index of Refraction: 1.563
Molar Refractivity: 35.27 cm3
Molar Volume: 108.4 cm3
Polarizability: 13.98 10-24cm3
Surface Tension: 43.2 dyne/cm
Density: 1.107 g/cm3
Flash Point: 79.4 °C
Enthalpy of Vaporization: 41.25 kJ/mol
Melting Point: -37 °C
Boiling Point: 193.9 °C at 760 mmHg
Vapour Pressure: 0.633 mmHg at 25°C
Water Solubility: 3 g/L (20 ºC)
Stability: Stability Unstable - polymerises readily with compounds possessing a labile hydrogen (such as acids and alcohols) in the presence of acids, bases or some salts. Combustible. Incompatible with strong oxidizing agents, acids, bases. Moisture sensitive.
Product Categories: Organics;Oxiranes;Simple 3-Membered Ring Compounds
Canonical SMILES: C1C(O1)C2=CC=CC=C2
InChI: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
InChIKey: AWMVMTVKBNGEAK-UHFFFAOYSA-N
Uses
The major use of Oxirane, 2-phenyl (96-09-3) is as an intermediate in medicine and perfume.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. PB81-168510, | |
| mouse | LD50 | oral | 1500mg/kg (1500mg/kg) | JNCI, Journal of the National Cancer Institute. Vol. 77, Pg. 471, 1986. | |
| rabbit | LD50 | skin | 890uL/kg (0.89mL/kg) | Union Carbide Data Sheet. Vol. 7/21/1977, | |
| rat | LCLo | inhalation | 500ppm/4H (500ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | intraperitoneal | 460mg/kg (460mg/kg) | Toxicology and Applied Pharmacology. Vol. 18, Pg. 321, 1971. | |
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. PB81-168510, |
Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2A IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 , 1985,p. 245.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 , 1985,p. 245.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Confirmed carcinogen with experimental carcinogenic, tumorigenic, and teratogenic data. Moderately toxic by ingestion, inhalation, skin contact, and intraperitoneal routes. Experimental reproductive effects. Human mutation data reported. A skin and eye irritant. Flammable when exposed to heat, flame, or oxidizers; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: 
T
Risk Statements: 45-21-36
R45:May cause cancer.
R21:Harmful in contact with skin.
R36:Irritating to eyes.
Safety Statements: 53-45
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: CZ9625000
HazardClass: 6.1
PackingGroup: III
HS Code: 29109000
Hazardous Substances Data 96-09-3(Hazardous Substances Data)
Attentions:
1. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Avoid ingestion and inhalation. Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Specification
Oxirane, 2-phenyl , its cas register number is 96-09-3. It also can be called 1,2-Epoxy-1-phenylethane ; 1,2-Epoxyethylbenzene ; 1-Phenyl-1,2-epoxyethane ; 1-Phenyloxirane ; 2-Phenyloxirane ; Benzene, (1,2-epoxyethyl)- ; Benzene, (epoxyethyl)- ; Epoxyethyl benzene ; Epoxystyrene ; Fenyloxiran ; Oxirane, phenyl- ; Phenethylene oxide ; Phenyl oxirane ;
Phenylethylene oxide ; Phenyloxirane ; Styrene 7,8-oxide ; Styrene epoxide ; Styrene oxide ; Styrene-7,8-oxide ; Styryl oxide . Oxirane, 2-phenyl (CAS NO.96-09-3) is clear colorless straw-colored liquid with a sweet pleasant odor.