Introduction：Basic information about CAS 4457-71-0|3-Methyl-1,5-pentanediol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methyl-1,5-pentanediol |
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| CAS Number | 4457-71-0 | Molecular Weight | 118.17400 |
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| Density | 0.974 g/mL at 20 °C(lit.) | Boiling Point | 150 °C / 25mmHg |
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| Molecular Formula | C6H14O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 143°C |
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Names
| Name | 3-Methyl-1,5-pentanediol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.974 g/mL at 20 °C(lit.) |
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| Boiling Point | 150 °C / 25mmHg |
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| Molecular Formula | C6H14O2 |
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| Molecular Weight | 118.17400 |
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| Flash Point | 143°C |
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| Exact Mass | 118.09900 |
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| PSA | 40.46000 |
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| LogP | 0.38730 |
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| Index of Refraction | n20/D 1.454 |
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| InChIKey | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
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| SMILES | CC(CCO)CCO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA0800000
- CHEMICAL NAME :
- 1,5-Pentanediol, 3-methyl-
- CAS REGISTRY NUMBER :
- 4457-71-0
- BEILSTEIN REFERENCE NO. :
- 1697331
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H14-O2
- MOLECULAR WEIGHT :
- 118.20
- WISWESSER LINE NOTATION :
- Q2Y1&2Q
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01094
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | 1987 |
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| WGK Germany | 1 |
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| RTECS | SA0800000 |
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| HS Code | 2905399090 |
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Customs
| HS Code | 2905399090 |
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| Summary | 2905399090 other diols。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:5.5%。general tariff:30.0% |
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Synonyms
| 1,5-Dihydroxy-3-methylpentane |
| 3-methylpentane-1,5-diol |
| EINECS 224-709-1 |
| MFCD00039547 |
