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2-Methyl-1-buten-3-yne

  • Name 2-Methyl-1-buten-3-yne
  • EINECSN/A
  • CAS No. 78-80-8
  • Density0.695 g/mL at 25 °C(lit.)
  • PSA0.00000
  • LogP1.19570
  • SolubilityN/A
  • Melting Point-113 °C
  • FormulaC5H6
  • Boiling Point32 °C(lit.)
  • Molecular Weight66.1026
  • Flash Point20 °F
  • Transport InformationN/A
  • AppearanceClear colorless to light yellow liquid
  • SafetyPoison 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.
  • Risk CodesR12; R20/22; R36/37/38; R65
  • Molecular Structure
    Molecular Structure of 78-80-8 (2-Methyl-1 -butene-3-yne)
  • Hazard SymbolsF+,Xn,Xi
  • SynonymsF+,Xn,Xi
  • Article Data69

2-Methyl-1-buten-3-yne Chemical Properties

Product Name: 2-Methyl-1-buten-3-yne (CAS NO.78-80-8)


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

2-Methyl-1-buten-3-yne 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 Unpublished Report.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 Unpublished Report.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.

2-Methyl-1-buten-3-yne 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+,Xn,F,Xi
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 

2-Methyl-1-buten-3-yne 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 .

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