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CAS No.: | 3230-69-1 |
---|---|
Name: | Ethynyl methyl vinyl carbinol |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C6H8O |
Molecular Weight: | 96.1289 |
Synonyms: | 2-Vinyl-3-butyn-2-ol;3-Methyl-4-penten-1-yn-3-ol;Ethynylmethylvinylcarbinol;NSC 44005; |
EINECS: | 221-770-6 |
Density: | 0.924 g/cm3 |
Melting Point: | 25°C (estimate) |
Boiling Point: | 127.722 °C at 760 mmHg |
Flash Point: | 29.215 °C |
Appearance: | reddish to yellow-brown liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 36-37/39-26 |
Transport Information: | UN 1760 8/PG 2 |
PSA: | 20.23000 |
LogP: | 0.55660 |
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IUPAC Name: 3-Methylpent-1-en-4-yn-3-ol
Molecular Formula: C6H8O
Molecular Weight: 96.13 g/mol
Canonical SMILES: CC(C=C)(C#C)O
InChI: InChI=1/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3
EINECS: 221-770-6
Classification Code: Drug / Therapeutic Agent
Product Categories: Acetylenes; Acetylenic Alcohols & Their Derivatives
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 96.057515
MonoIsotopic Mass: 96.057515
Topological Polar Surface Area: 20.2
Heavy Atom Count: 7
Complexity: 117
Index of Refraction: 1.467
Molar Refractivity: 28.89 cm3
Molar Volume: 103.9 cm3
Polarizability: 11.45×10-24cm3
Surface Tension: 33.7 dyne/cm
Density: 0.924 g/cm3
Flash Point: 29.2 °C
Enthalpy of Vaporization: 42.59 kJ/mol
Boiling Point: 127.7 °C at 760 mmHg
Vapour Pressure of 3-Methyl-1-penten-4-yn-3-ol (CAS NO.3230-69-1): 5.02 mmHg at 25 °C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1350mg/kg (1350mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 107, Pg. 459, 1953. | |
mouse | LD50 | subcutaneous | 1100mg/kg (1100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 107, Pg. 459, 1953. |
Hazard Codes: Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 36-37/39-26
S36: Wear suitable protective clothing.
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany of 3-Methyl-1-penten-4-yn-3-ol (CAS NO.3230-69-1): 1
3-Methyl-1-penten-4-yn-3-ol (CAS NO.3230-69-1), its Synonyms are 3-Methylpent-1-en-4-yn-3-ol ; 3-Methyl pent-4-en-l-yn-3-0L ; 3-Methyl-pent-4-en-1-yn-3-Ol . It is reddish to yellow-brown liquid.