Introduction：Basic information about CAS 4379-17-3|.beta.-Neopentylallyl alcohol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | .beta.-Neopentylallyl alcohol |
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| CAS Number | 4379-17-3 | Molecular Weight | 128.21200 |
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| Density | 0.837g/cm3 | Boiling Point | 159ºC at 760 mmHg |
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| Molecular Formula | C8H16O | Melting Point | / |
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| MSDS | / | Flash Point | 56.3ºC |
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Names
| Name | 4,4-dimethyl-2-methylidenepentan-1-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.837g/cm3 |
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| Boiling Point | 159ºC at 760 mmHg |
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| Molecular Formula | C8H16O |
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| Molecular Weight | 128.21200 |
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| Flash Point | 56.3ºC |
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| Exact Mass | 128.12000 |
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| PSA | 20.23000 |
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| LogP | 1.97110 |
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| Index of Refraction | 1.438 |
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| InChIKey | SSTMSMYLTOSLSY-UHFFFAOYSA-N |
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| SMILES | C=C(CO)CC(C)(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UD5425000
- CHEMICAL NAME :
- 2-Propen-1-ol, beta-neopentyl-
- CAS REGISTRY NUMBER :
- 4379-17-3
- BEILSTEIN REFERENCE NO. :
- 1700644
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C8-H16-O
- MOLECULAR WEIGHT :
- 128.24
- WISWESSER LINE NOTATION :
- Q1YU1&1X1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,7,1961
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Safety Information
Customs
| HS Code | 2905290000 |
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| Summary | 2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 2-Neopentyl-2-propen-1-ol |
| 2-Methylol-4,4-dimethylpent-1-en |
| 2-neopentyl-allyl alcohol |
| 2-Neopentyl-allylalkohol |
