Introduction：Basic information about CAS 939-48-0|Isopropyl Benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isopropyl Benzoate |
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| CAS Number | 939-48-0 | Molecular Weight | 164.20100 |
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| Density | 1,01 g/cm3 | Boiling Point | 218°C |
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| Molecular Formula | C10H12O2 | Melting Point | -26.4ºC |
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| MSDS | ChineseUSA | Flash Point | 102°C |
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Names
| Name | Isopropyl Benzoate |
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| Synonym | More Synonyms |
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Isopropyl Benzoate BiologicalActivity
| Description | Isopropyl benzoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research. |
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| Related Catalog | Research Areas >>Others |
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Chemical & Physical Properties
| Density | 1,01 g/cm3 |
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| Boiling Point | 218°C |
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| Melting Point | -26.4ºC |
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| Molecular Formula | C10H12O2 |
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| Molecular Weight | 164.20100 |
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| Flash Point | 102°C |
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| Exact Mass | 164.08400 |
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| PSA | 26.30000 |
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| LogP | 2.25180 |
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| Index of Refraction | 1.499 |
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| InChIKey | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
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| SMILES | CC(C)OC(=O)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DH3150000
- CHEMICAL NAME :
- Benzoic acid, isopropyl ester
- CAS REGISTRY NUMBER :
- 939-48-0
- BEILSTEIN REFERENCE NO. :
- 2044384
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H12-O2
- MOLECULAR WEIGHT :
- 164.22
- WISWESSER LINE NOTATION :
- 1Y1&OVR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3730 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 20 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | 22 |
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| RTECS | DH3150000 |
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| HS Code | 2916310090 |
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Customs
| HS Code | 2916310090 |
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| Summary | 2916310090 other benzoic acid and 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:6.5%。general tariff:30.0% |
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Synonyms
| propan-2-yl benzoate |
| EINECS 213-361-6 |
| MFCD00048289 |
