Introduction：Basic information about CAS 4196-86-5|[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | [3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate |
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| CAS Number | 4196-86-5 | Molecular Weight | 552.57100 |
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| Density | 1.255g/cm3 | Boiling Point | 684.3ºC at 760 mmHg |
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| Molecular Formula | C33H28O8 | Melting Point | 102-104 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 286.2ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | Pentaerythritol Tetrabenzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.255g/cm3 |
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| Boiling Point | 684.3ºC at 760 mmHg |
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| Melting Point | 102-104 °C(lit.) |
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| Molecular Formula | C33H28O8 |
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| Molecular Weight | 552.57100 |
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| Flash Point | 286.2ºC |
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| Exact Mass | 552.17800 |
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| PSA | 105.20000 |
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| LogP | 5.40080 |
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| Index of Refraction | 1.599 |
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| InChIKey | MINJAOUGXYRTEI-UHFFFAOYSA-N |
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| SMILES | O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1 |
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| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RZ2605000
- CHEMICAL NAME :
- Pentaerythritol, tetrabenzoate
- CAS REGISTRY NUMBER :
- 4196-86-5
- BEILSTEIN REFERENCE NO. :
- 3513249
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C33-H28-O8
- MOLECULAR WEIGHT :
- 552.61
- WISWESSER LINE NOTATION :
- RVO1X1OVR&1OVR&1OVR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1158 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1105,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1681 No. of Facilities: 2078 (estimated) No. of Industries: 25 No. of Occupations: 14 No. of Employees: 4820 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1681 No. of Facilities: 601 (estimated) No. of Industries: 10 No. of Occupations: 15 No. of Employees: 9563 (estimated) No. of Female Employees: 5004 (estimated)
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 |
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| Hazard Codes | Xn |
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| Risk Phrases | 22 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | RZ2605000 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Articles2
More Articles
| Structure of pentaerythritol tetrabenzoate.Bormann LM, et al. Acta Crystallogr. C Struct. Chem. 49(11) , 1982-85, (1993)
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| Quantitative analysis of C 10-C 12 naphthalene hydrocarbons using gas chromatography and molecular spectroscopy.Vaisberg KM, et al. Chem. Tech. Fuels Oils 1(9) , 736-40, (1965)
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Synonyms
| MFCD00020676 |
| EINECS 224-079-8 |
| [3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate |
