Introduction：Basic information about CAS 78-80-8|2-Metbut-1-en-1yne, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Metbut-1-en-1yne |
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| CAS Number | 78-80-8 | Molecular Weight | 66.10110 |
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| Density | 0.695 g/mL at 25 °C(lit.) | Boiling Point | 32 °C(lit.) |
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| Molecular Formula | C5H6 | Melting Point | -113 °C |
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| MSDS | / | Flash Point | 20 °F |
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Names
| Name | 2-Methyl-1-buten-3-yne |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.695 g/mL at 25 °C(lit.) |
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| Boiling Point | 32 °C(lit.) |
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| Melting Point | -113 °C |
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| Molecular Formula | C5H6 |
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| Molecular Weight | 66.10110 |
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| Flash Point | 20 °F |
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| Exact Mass | 66.04700 |
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| LogP | 1.19570 |
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| Vapour Pressure | 8.96 psi ( 20 °C) |
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| Index of Refraction | n20/D 1.416(lit.) |
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| InChIKey | BOFLDKIFLIFLJA-UHFFFAOYSA-N |
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| SMILES | C#CC(=C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0960000
- CHEMICAL NAME :
- 1-Buten-3-yne, 2-methyl-
- CAS REGISTRY NUMBER :
- 78-80-8
- BEILSTEIN REFERENCE NO. :
- 0969175
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H6
- MOLECULAR WEIGHT :
- 66.11
- WISWESSER LINE NOTATION :
- 1UU1Y1&U1
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 Unpublished Report.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: -,6,1961 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 639 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: -,6,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 350 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: -,6,1961
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12600 mg/m3
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(4),55,1987
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 8,100,1956
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Safety Information
| Hazard Codes | F+,Xn,F,Xi |
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| Risk Phrases | 12-20/22-36/37/38-65 |
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| Safety Phrases | 16-26-36/37-62 |
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| RIDADR | UN 3295 3/PG 1 |
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| WGK Germany | 3 |
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| RTECS | EN0960000 |
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| Packaging Group | I |
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Synonyms
| 2-methylbut-1-en-3-yne |
| EINECS 201-144-9 |
| MFCD00008599 |
| 2-Metbut-1-en-1yne |
