Introduction：Basic information about CAS 122-72-5|Benzenepropanol,1-acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Benzenepropanol,1-acetate |
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| CAS Number | 122-72-5 | Molecular Weight | 178.22800 |
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| Density | 1.012 g/mL at 25 °C(lit.) | Boiling Point | 244 °C(lit.) |
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| Molecular Formula | C11H14O2 | Melting Point | -60 °C |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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Names
| Name | 3-phenylpropyl acetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.012 g/mL at 25 °C(lit.) |
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| Boiling Point | 244 °C(lit.) |
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| Melting Point | -60 °C |
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| Molecular Formula | C11H14O2 |
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| Molecular Weight | 178.22800 |
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| Flash Point | >230 °F |
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| Exact Mass | 178.09900 |
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| PSA | 26.30000 |
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| LogP | 2.18230 |
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| Vapour Pressure | 0.0106mmHg at 25°C |
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| Index of Refraction | n20/D 1.496(lit.) |
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| InChIKey | JRJGKUTZNBZHNK-UHFFFAOYSA-N |
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| SMILES | CC(=O)OCCCc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UB9000000
- CHEMICAL NAME :
- 1-Propanol, 3-phenyl-, acetate
- CAS REGISTRY NUMBER :
- 122-72-5
- BEILSTEIN REFERENCE NO. :
- 0744307
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H14-O2
- MOLECULAR WEIGHT :
- 178.25
- WISWESSER LINE NOTATION :
- 1VO3R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4700 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: 12,965,1974
- 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: 12,965,1974
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Safety Information
| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | UB9000000 |
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| HS Code | 2915390090 |
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Customs
| HS Code | 2915390090 |
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| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| 3-Phenyl-1-propanol,acetate |
| 3-PHENYLPROPYL ACETATE |
| 2-acetoxypropyl benzene |
| tolueneethyl acetate |
| Benzenepropanol,acetate |
| Acetic Acid 3-Phenylpropyl Ester |
| Benzenepropyl acetate |
| Phenylpropyl acetate |
| Hydrocinnamyl Acetate |
| PhCH2CH2CH2OAc |
| EINECS 204-569-8 |
| 3-Phenyl-1-propyl acetate |
| 3-Acetoxy-1-phenylpropane |
| MFCD00026216 |
