Introduction：Basic information about CAS 13794-14-4|2-Phenoxybutyric acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Phenoxybutyric acid |
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| CAS Number | 13794-14-4 | Molecular Weight | 180.20000 |
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| Density | 1.14 g/cm3 | Boiling Point | 258ºC |
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| Molecular Formula | C10H12O3 | Melting Point | 79-83ºC |
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| MSDS | / | Flash Point | 115.3ºC |
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Names
| Name | 2-phenoxybutanoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.14 g/cm3 |
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| Boiling Point | 258ºC |
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| Melting Point | 79-83ºC |
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| Molecular Formula | C10H12O3 |
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| Molecular Weight | 180.20000 |
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| Flash Point | 115.3ºC |
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| Exact Mass | 180.07900 |
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| PSA | 46.53000 |
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| LogP | 1.92860 |
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| Vapour Pressure | 0.00721mmHg at 25°C |
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| Index of Refraction | 1.524 |
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| InChIKey | TVSPPYGAFOVROT-UHFFFAOYSA-N |
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| SMILES | CCC(Oc1ccccc1)C(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ET5956250
- CHEMICAL NAME :
- Butyric acid, 2-phenoxy-
- CAS REGISTRY NUMBER :
- 13794-14-4
- BEILSTEIN REFERENCE NO. :
- 2048912
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H12-O3
- MOLECULAR WEIGHT :
- 180.22
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 18,642,1963
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RTECS | ET5956250 |
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| HS Code | 2918990090 |
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Customs
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| EINECS 237-449-9 |
| Butyric acid,2-phenoxy |
| DL-2-Phenoxybutyric acid |
| Butanoic acid,2-phenoxy |
| 2-Phenoxy-butyric acid |
| phenoxybutyric acid |
| MFCD00002666 |
| (2RS)-2-phenoxybutyric acid |
