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| CAS No.: | 78-80-8 |
|---|---|
| Name: | 2-Methyl-1 -butene-3-yne |
| Article Data: | 69 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6 |
| Molecular Weight: | 66.1026 |
| Synonyms: | 2-Methyl-1-buten-3-yne;2-Methyl-1-butene-3-yne; 2-Methyl-1-butenyne; 2-Methylbutenyne;3-Methyl-3-buten-1-yne; 3-Methyl-3-butene-1-yne; Isopropenylacetylene; NSC9296; Valylene |
| Density: | 0.695 g/mL at 25 °C(lit.) |
| Melting Point: | -113 °C |
| Boiling Point: | 32 °C(lit.) |
| Flash Point: | 20 °F |
| Appearance: | Clear colorless to light yellow liquid |
| Hazard Symbols: |
 F+, Xn, Xi
|
| Risk Codes: | R12; R20/22; R36/37/38; R65 |
| Safety: | Poison by ingestion. Mildly toxic by inhalation. A skin irritant. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES. |
| PSA: | 0.00000 |
| LogP: | 1.19570 |
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Chemistry
Product Name: 2-Methyl-1-buten-3-yne (CAS NO.78-80-8)
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Molecular Formula: C5H6
Molecular Weight: 66.1g/mol
Mol File: 78-80-8.mol
Einecs: 201-144-9
Appearance: Clear colorless to light yellow liquid
Melting Point: -113 °C
Boiling point: 31.7 °C at 760 mmHg
Storage Temperature: 2-8°C
Density: 0.695 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.416(lit.)
Surface Tension: 22.4 dyne/cm
Enthalpy of Vaporization: 26.56 kJ/mol
Vapour Pressure: 598 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 0
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 12600mg/m3 (12600mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987. |
| mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 100, 1956. | |
| mouse | LD50 | oral | 350mg/kg (350mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. | |
| rat | LDLo | oral | 639mg/kg (639mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961. |
Safety Profile
Poison by ingestion. Mildly toxic by inhalation. A skin irritant. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes. See also ACETYLENE COMPOUNDS and ALKYNES.
Safety Information of 2-Methyl-1-buten-3-yne (CAS NO.78-80-8):
Hazard Codes: F+.gif){kind=small}
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Risk Statements: 12-20/22-36/37/38-65
12: Extremely Flammable
20: Harmful by inhalation
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
65: Harmful: May cause lung damage if swallowed
Safety Statements: 16-26-36/37-62
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
Specification
2-Methyl-1-buten-3-yne ,its CAS NO. is 78-80-8,the synonyms is 1-Butene-3-yne, 2-methyl- ; 2-Methyl-1-butenyne ; 2-Methylbutenyne ; 3-Methyl-3-buten-1-yne ; CH2=C(CH3)CequivCH ; Valylene ; Isopropenylacetylene .