Introduction：Basic information about CAS 120-45-6|1-Phenylethyl propionate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Phenylethyl propionate |
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| CAS Number | 120-45-6 | Molecular Weight | 178.228 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 229.5±9.0 °C at 760 mmHg |
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| Molecular Formula | C11H14O2 | Melting Point | -60°C |
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| MSDS | USA | Flash Point | 94.4±0.0 °C |
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Names
| Name | 1-Phenylethyl propionate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 229.5±9.0 °C at 760 mmHg |
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| Melting Point | -60°C |
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| Molecular Formula | C11H14O2 |
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| Molecular Weight | 178.228 |
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| Flash Point | 94.4±0.0 °C |
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| Exact Mass | 178.099380 |
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| PSA | 26.30000 |
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| LogP | 2.81 |
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| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
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| Index of Refraction | 1.497 |
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| InChIKey | WCIQNYOXLZQQMU-UHFFFAOYSA-N |
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| SMILES | CCC(=O)OC(C)c1ccccc1 |
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| Water Solubility | 0.04 g/L (20 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DP0620000
- CHEMICAL NAME :
- Benzyl alcohol, alpha-methyl-, propionate
- CAS REGISTRY NUMBER :
- 120-45-6
- BEILSTEIN REFERENCE NO. :
- 1948418
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C11-H14-O2
- MOLECULAR WEIGHT :
- 178.25
- WISWESSER LINE NOTATION :
- 2VOY1&R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,613,1976 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,613,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,613,1976
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| Hazard Codes | T+ |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 1 |
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| RTECS | DP0620000 |
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| HS Code | 2915509000 |
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Customs
| HS Code | 2915509000 |
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| Summary | 2915509000 propionic acid, its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Synonyms
| Methylbenzylpropionat |
| Styrallyl propionate |
| styrolylpropionate |
| 1-phenylethyl propanoate |
| α-Methylbenzyl propionate |
| rac-1-phenyl-1-ethyl-propionate |
| 1-phenylethyl |
| 1-Phenylethyl propionate |
| EINECS 204-397-3 |
| Acid ester Styrax |
| 1-phenylethanol propionate |
| 1-Phenylethylpropionate |
| MFCD00009305 |
| STYROLYLPROPIONAT |
| PHENYLETHYL PROPIONATE |
| UNII:J5A62A7WWF |
| Benzenemethanol, α-methyl-, propanoate |
| MBA-Propionate |
| FEMA 2689 |
