Benzene,1-methyl-2-(1-propyn-1-yl)- supplier

Name
Benzene, 1-methyl-2-(1-propynyl)- (9CI)
EINECS
CAS No. 57497-13-9
Article Data19
CAS DataBase
Density 0.93 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀
Boiling Point 206.9 °C at 760 mmHg
Molecular Weight 130.189
Flash Point 75.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1-methyl-2-(1-propynyl)- (9CI);1-(2-Methylphenyl)-1-propyne;1-(2-Methylphenyl)propyne;
PSA 0.00000
LogP 2.36640

Benzene,1-methyl-2-(1-propyn-1-yl)- Specification

The Benzene, 1-methyl-2-(1-propyn-1-yl)-, with the CAS registry number 57497-13-9, is also known as 1-(2-Methylphenyl)propyne. This chemical's molecular formula is C₁₀H₁₀ and molecular weight is 130.1864. What's more, its IUPAC name is 1-Methyl-2-prop-1-ynylbenzene.

Physical properties about Benzene, 1-methyl-2-(1-propyn-1-yl)- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 309.64; (6)ACD/BCF (pH 7.4): 309.64; (7)ACD/KOC (pH 5.5): 2111.36; (8)ACD/KOC (pH 7.4): 2111.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 43.27 cm³; (15)Molar Volume: 138.5 cm³; (16)Polarizability: 17.15×10^-24 cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 0.93 g/cm³; (19)Flash Point: 75.1 °C; (20)Enthalpy of Vaporization: 42.51 kJ/mol; (21)Boiling Point: 206.9 °C at 760 mmHg; (22)Vapour Pressure: 0.333 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ccccc1C)C
(2) InChI: InChI=1/C10H10/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3
(3) InChIKey: VXKBMXXRLARKSD-UHFFFAOYAG

Product Name

Benzene, 1-methyl-2-(1-propynyl)- (9CI)

Benzene,1-methyl-2-(1-propyn-1-yl)- Specification

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