Introduction:Basic information about CAS 77-74-7|3-Methyl-3-pentanol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methyl-3-pentanol |
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| CAS Number | 77-74-7 | Molecular Weight | 102.175 |
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| Density | 0.8±0.1 g/cm3 | Boiling Point | 122.4±0.0 °C at 760 mmHg |
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| Molecular Formula | C6H14O | Melting Point | -24ºC |
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| MSDS | ChineseUSA | Flash Point | 46.1±0.0 °C |
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| Symbol | GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 3-Methyl-3-pentanol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
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| Boiling Point | 122.4±0.0 °C at 760 mmHg |
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| Melting Point | -24ºC |
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| Molecular Formula | C6H14O |
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| Molecular Weight | 102.175 |
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| Flash Point | 46.1±0.0 °C |
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| Exact Mass | 102.104462 |
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| PSA | 20.23000 |
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| LogP | 1.57 |
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| Vapour Pressure | 6.7±0.4 mmHg at 25°C |
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| Index of Refraction | 1.415 |
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| InChIKey | FRDAATYAJDYRNW-UHFFFAOYSA-N |
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| SMILES | CCC(C)(O)CC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA7450000
- CHEMICAL NAME :
- 3-Pentanol, 3-methyl-
- CAS REGISTRY NUMBER :
- 77-74-7
- BEILSTEIN REFERENCE NO. :
- 1731456
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C6-H14-O
- MOLECULAR WEIGHT :
- 102.20
- WISWESSER LINE NOTATION :
- QX2&2&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 710 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 115,230,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- LDTU** "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931 Volume(issue)/page/year: -,-,1931
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955
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Safety Information
| Symbol | GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H302 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn |
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| Risk Phrases | R10 |
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| Safety Phrases | 24/25 |
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| RIDADR | UN 2560 |
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| WGK Germany | 3 |
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| RTECS | SA7450000 |
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| Packaging Group | III |
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| Hazard Class | 3.2 |
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Synonyms
| EINECS 201-053-4 |
| MFCD00004483 |
| 3-methylpentan-3-ol |
| 3-Methyl-3-pentanol |
| 3-Pentanol, 3-methyl- |