3-Methyl-1-penten-4-yn-3-ol supplier

Name
Ethynyl methyl vinyl carbinol
EINECS 221-770-6
CAS No. 3230-69-1
Article Data22
CAS DataBase
Density 0.924 g/cm³
Solubility
Melting Point 25°C (estimate)
Formula C₆H₈O
Boiling Point 127.722 °C at 760 mmHg
Molecular Weight 96.1289
Flash Point 29.215 °C
Transport Information UN 1760 8/PG 2
Appearance reddish to yellow-brown liquid
Safety 36-37/39-26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Vinyl-3-butyn-2-ol;3-Methyl-4-penten-1-yn-3-ol;Ethynylmethylvinylcarbinol;NSC 44005;
PSA 20.23000
LogP 0.55660

3-Methyl-1-penten-4-yn-3-ol Chemical Properties

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

3-Methyl-1-penten-4-yn-3-ol Toxicity Data With Reference

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.

3-Methyl-1-penten-4-yn-3-ol Safety Profile

Hazard Codes: Harmful 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 Specification

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.

Product Name

Ethynyl methyl vinyl carbinol

3-Methyl-1-penten-4-yn-3-ol Chemical Properties

3-Methyl-1-penten-4-yn-3-ol Toxicity Data With Reference

3-Methyl-1-penten-4-yn-3-ol Safety Profile

3-Methyl-1-penten-4-yn-3-ol Specification

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