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Name |
4,4-Dimethyl-2-pentyne |
EINECS | -0 |
CAS No. | 999-78-0 | Density | 0.718 |
PSA | 0.00000 | LogP | 2.05580 |
Solubility | Immiscible with water. | Melting Point |
-82.4°C |
Formula | C7H12 | Boiling Point | 83 ºC |
Molecular Weight | 96.1723 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | 9-16-33 | Risk Codes | 11 |
Molecular Structure | Hazard Symbols | R11:Highly flammable.; R65:Harmful: may cause lung damage if swallowed.; | |
Synonyms |
1-Methyl-2-tert-butylacetylene;1-tert-Butyl-1-propyne; 2,2-Dimethyl-3-pentyne; 4,4-Dimethyl-2-pentyne;tert-Butylmethylacetylene |
Article Data | 6 |
Molecule structure of 4,4-Dimethyl-2-pentyne (CAS NO.999-78-0):
IUPAC Name: 4,4-Dimethylpent-2-yne
Molecular Weight: 96.17018 [g/mol]
Molecular Formula: C7H12
Index of Refraction: 1.422
Molar Refractivity: 32.44 cm3
Molar Volume: 127.4 cm3
Surface Tension: 24.6 dyne/cm
Density: 0.754 g/cm3
Enthalpy of Vaporization: 31.01 kJ/mol
Boiling Point: 83 °C at 760 mmHg
Vapour Pressure: 85.6 mmHg at 25 °C
XLogP3-AA: 2.7
Rotatable Bond Count: 1
Exact Mass: 96.0939
MonoIsotopic Mass: 96.0939
Canonical SMILES: CC#CC(C)(C)C
InChI: InChI=1S/C7H12/c1-5-6-7(2,3)4/h1-4H3
InChIKey of 4,4-Dimethyl-2-pentyne (CAS NO.999-78-0): FOALCTWKQSWRST-UHFFFAOYSA-N
Risk Statements: 11
R11:Highly flammable.
Safety Statements: 9-16-33
S9:Keep container in a well-ventilated place.
S16:Keep away from sources of ignition.
S33:Take precautionary measures against static discharges.
RIDADR: 3295
HazardClass: 3
PackingGroup: II
4,4-Dimethyl-2-pentyne (CAS NO.999-78-0) is also named as 2-Pentyne, 4,4-dimethyl- ; 4,4-Dimethylpent-2-yne ; tert-Butyl methyl acetylene .