1-Pentyn-3-one,4-methyl- supplier

Name
Pent-4-yn-3-one, 2-methyl-
EINECS
CAS No. 13531-82-3
Article Data10
CAS DataBase
Density 0.883 g/cm³
Solubility
Melting Point
Formula C₆H₈O
Boiling Point 127.3 °C at 760 mmHg
Molecular Weight 96.1289
Flash Point 37.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-1-pentyn-3-one;4-Methylpentyn-3-one;Ethynyl isopropyl ketone;NSC 96445;
PSA 17.07000
LogP 0.84470

1-Pentyn-3-one,4-methyl- Specification

The 1-Pentyn-3-one,4-methyl-, with the CAS registry number 13531-82-3, is also known as Ethynyl isopropyl ketone. This chemical's molecular formula is C₆H₈O and molecular weight is 96.12712. Its IUPAC name is called 4-methylpent-1-yn-3-one.

Physical properties of 1-Pentyn-3-one,4-methyl-: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.9; (5)ACD/BCF (pH 7.4): 5.9; (6)ACD/KOC (pH 5.5): 124.05; (7)ACD/KOC (pH 7.4): 124.05; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.422; (11)Molar Refractivity: 27.66 cm³; (12)Molar Volume: 108.8 cm³; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 0.883 g/cm³; (15)Flash Point: 37.9 °C; (16)Enthalpy of Vaporization: 36.51 kJ/mol; (17)Boiling Point: 127.3 °C at 760 mmHg; (18)Vapour Pressure: 11.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(=O)C#C
(2)InChI: InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3
(3)InChIKey: KLQCAVMGXXCQHN-UHFFFAOYSA-N

Product Name

Pent-4-yn-3-one, 2-methyl-

1-Pentyn-3-one,4-methyl- Specification

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