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20574-99-6

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Basic Information
CAS No.: 20574-99-6
Name: 4-(4-METHYLPHENYL)-1-BUTENE
Article Data: 15
Molecular Structure:
Molecular Structure of 20574-99-6 (4-(4-METHYLPHENYL)-1-BUTENE)
Formula: C11H14
Molecular Weight: 146.232
Synonyms: 4-(But-3-en-1-yl)toluene;4-(4-Methylphenyl)but-1-ene;1-But-3-enyl-4-methyl-benzene;1-(But-3-en-1-yl)-4-methylbenzene;
Density: 0.877 g/cm3
Boiling Point: 201 °C at 760 mmHg
Flash Point: 67.7 °C
Hazard Symbols: ToxicT
PSA: 0.00000
LogP: 3.11360
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Specification

The Benzene,1-(3-buten-1-yl)-4-methyl-, with the CAS registry number 20574-99-6, is also known as 4-(But-3-en-1-yl)toluene. This chemical's molecular formula is C11H14 and molecular weight is 146.23. What's more, its systematic name is 1-(but-3-en-1-yl)-4-methylbenzene. When you are using this chemical, please be cautious about it. It may cause damage to health at low levels.

Physical properties of Benzene,1-(3-buten-1-yl)-4-methyl- are: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 4.28; (5)ACD/BCF (pH 5.5): 1060.79; (6)ACD/BCF (pH 7.4): 1060.79; (7)ACD/KOC (pH 5.5): 5097.37; (8)ACD/KOC (pH 7.4): 5097.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 49.61 cm3; (15)Molar Volume: 166.6 cm3; (16)Polarizability: 19.67×10-24cm3; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.877 g/cm3; (19)Flash Point: 67.7 °C; (20)Enthalpy of Vaporization: 41.93 kJ/mol; (21)Boiling Point: 201 °C at 760 mmHg; (22)Vapour Pressure: 0.447 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(CCC=C)cc1
(2)Std. InChI: InChI=1S/C11H14/c1-3-4-5-11-8-6-10(2)7-9-11/h3,6-9H,1,4-5H2,2H3
(3)Std. InChIKey: NXZORYBJGZFMQU-UHFFFAOYSA-N