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| CAS No.: | 2257-09-2 |
|---|---|
| Name: | Phenylethyl isothiocyanate |
| Molecular Structure: | |
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|
|
| Formula: | C9H9NS |
| Molecular Weight: | 163.243 |
| Synonyms: | Isothiocyanicacid, phenethyl ester (6CI,7CI,8CI);(2-Isothiocyanatoethyl)benzene;1-(2-Isothiocyanatoethyl)benzene;2-Phenylethyl isothiocyanate;JC 5411;NSC87868;Phenethyl mustard oil;Phenylethylisothiocyanate;Phenylethyl mustard oil;b-Phenethylisothiocyanate;b-Phenylethyl isothiocyanate; |
| EINECS: | 218-855-5 |
| Density: | 1.007 g/cm3 |
| Melting Point: | 143～145℃ |
| Boiling Point: | 278.089 °C at 760 mmHg |
| Flash Point: | 124.408 °C |
| Solubility: | Insoluble in water |
| Appearance: | Light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-42-42/43 |
| Safety: | 23-26-36-36/37 |
| Transport Information: | UN 2206 6.1/PG 3 |
| PSA: | 44.45000 |
| LogP: | 2.33190 |
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Chemistry
Chemical Name: Phenylethyl isothiocyanate
IUPAC NAME: 2-Isothiocyanatoethylbenzene
CAS No.: 2257-09-2
RTECS: NX9115000
Molecular Formula: C9H9NS
Molecular Weight: 163.24 g/mol
Density: 1 g/cm3
Flash Point: 124.4 °C
Boiling Point: 278.1 °C at 760 mmHg
Following is the structure of Isothiocyanic acid, phenethyl ester (2257-09-2):
Product Categories about Isothiocyanic acid, phenethyl ester (2257-09-2) are Aromatics Compounds;Aromatics;Sulfur & Selenium Compounds
The chemical synonymous of Isothiocyanic acid, phenethyl ester (2257-09-2) are Isothiocyanic acid beta-phenylethyl ester;Beta-phenethyl isothiocyanate;B-phenylethyl isothiocyanate;2-Phenylethyl isothiocyanate;2-Isothiocyanatoethylbenzene;2-Phenethyl isothiocyanate;1-(2-Isothiocyanatoethyl)benzene;Akos B016323
Toxicity Data With Reference
| 1. | uns-uns- 800 µg/L | MUREAV Mutation Research. 300 (1993),111. | ||
| 2. | cyt-uns-skn 800 µg/L | MUREAV Mutation Research. 300 (1993),111. | ||
| 3. | ipr-rat LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),558. | ||
| 4. | orl-mus LD50:700 mg/kg | JAFCAU Journal of Agricultural and Food Chemistry. 10 (1962),30. | ||
| 5. | ipr-mus LDLo:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 21 (1971),121. | ||
| 6. | scu-mus LD50:250 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 5 (1955),505. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal and subcutaneous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES.
Hazard Codes:
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Xi: Irritant
Risk Statements about Isothiocyanic acid, phenethyl ester (2257-09-2):
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
Safety Statements about Isothiocyanic acid, phenethyl ester (2257-09-2):
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
Attention:
1. Storage: Store in a cool, dry place. Store in a tightly closed container.
2. Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.