Introduction：Basic information about CAS 77-75-8|methylpentynol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methylpentynol |
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| CAS Number | 77-75-8 | Molecular Weight | 98.143 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 120.5±8.0 °C at 760 mmHg |
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| Molecular Formula | C6H10O | Melting Point | -30ºC |
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| MSDS | / | Flash Point | 26.7±0.0 °C |
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Names
| Name | 3-Methyl-1-pentyn-3-ol |
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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 | 120.5±8.0 °C at 760 mmHg |
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| Melting Point | -30ºC |
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| Molecular Formula | C6H10O |
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| Molecular Weight | 98.143 |
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| Flash Point | 26.7±0.0 °C |
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| Exact Mass | 98.073166 |
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| PSA | 20.23000 |
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| LogP | 0.85 |
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| Vapour density | 3 (vs air) |
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| Vapour Pressure | 7.3±0.5 mmHg at 25°C |
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| Index of Refraction | 1.448 |
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| InChIKey | QXLPXWSKPNOQLE-UHFFFAOYSA-N |
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| SMILES | C#CC(C)(O)CC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SC4900000
- CHEMICAL NAME :
- 1-Pentyn-3-ol, 3-methyl-
- CAS REGISTRY NUMBER :
- 77-75-8
- BEILSTEIN REFERENCE NO. :
- 0969340
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C6-H10-O
- MOLECULAR WEIGHT :
- 98.16
- WISWESSER LINE NOTATION :
- QX2&1&1UU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 537 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 11,20,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 525 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 525 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 218,427,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 284 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 76,181,1956
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Safety Information
| Hazard Codes | F+:Highlyflammable; |
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| Risk Phrases | R10;R22;R51/53 |
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| Safety Phrases | S61 |
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| RIDADR | UN 1987 |
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| WGK Germany | 1 |
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| RTECS | SC4900000 |
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| Packaging Group | I; II; III |
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| HS Code | 29052990 |
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Customs
Synonyms
| Dormison |
| 3-Methylpent-1-yn-3-ol |
| Meparfynol |
| methylpentynol |
| MFCD00004479 |
| Methylparafynol |
| 3-Methyl-1-pentyn-3-ol |
| EINECS 201-055-5 |
| 1-Pentyn-3-ol, 3-methyl- |
| Atemorin |
