Introduction：Basic information about CAS 646-13-9|Isobutyl stearate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isobutyl stearate |
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| CAS Number | 646-13-9 | Molecular Weight | 340.584 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 381.5±10.0 °C at 760 mmHg |
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| Molecular Formula | C22H44O2 | Melting Point | 20ºC |
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| MSDS | USA | Flash Point | 187.7±8.8 °C |
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Names
| Name | 2-methylpropyl octadecanoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 381.5±10.0 °C at 760 mmHg |
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| Melting Point | 20ºC |
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| Molecular Formula | C22H44O2 |
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| Molecular Weight | 340.584 |
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| Flash Point | 187.7±8.8 °C |
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| Exact Mass | 340.334137 |
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| PSA | 26.30000 |
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| LogP | 10.09 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.447 |
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| InChIKey | ORFWYUFLWUWSFM-UHFFFAOYSA-N |
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| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C)C |
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| Storage condition | Store below +30°C. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- WI4220000
- CHEMICAL NAME :
- Stearic acid, isobutyl ester
- CAS REGISTRY NUMBER :
- 646-13-9
- BEILSTEIN REFERENCE NO. :
- 1792857
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C22-H44-O2
- MOLECULAR WEIGHT :
- 340.66
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),107,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5656 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 14 No. of Employees: 8524 (estimated) No. of Female Employees: 1324 (estimated)
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Safety Information
Customs
| HS Code | 2915709000 |
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| Summary | 2915709000. palmitic acid and its salts and esters. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
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Synonyms
| Octadecanoic acid, 2-methylpropyl ester |
| Octadecanoic acid,2-methylpropyl ester |
| stearic acid isobutyl ester |
| EINECS 211-466-1 |
| Stearinsaeure-isobutylester |
| Isobutyl stearate |
| Stearic acid,2-methylpropyl ester |
| Isobutylstearat |
