1-Dodecanone,1-(4-methylphenyl)- supplier

Name
1-(4-methylphenyl)dodecan-1-one
EINECS 256-705-0
CAS No. 50671-19-7
Article Data9
CAS DataBase
Density 0.907 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₀O
Boiling Point 380 °C at 760 mmHg
Molecular Weight 274.447
Flash Point 190.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methylphenyl)dodecan-1-one;
PSA 17.07000
LogP 6.09860

1-Dodecanone,1-(4-methylphenyl)- Specification

The 1-Dodecanone,1-(4-methylphenyl)- has the CAS registry number 50671-19-7. Its EINECS number is 256-705-0. This chemical's molecular formula is C₁₉H₃₀O and molecular weight is 274.44. What's more, its systematic name is 1-(4-methylphenyl)dodecan-1-one.

Physical properties of 1-Dodecanone,1-(4-methylphenyl)- are: (1)ACD/LogP: 7.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.44; (4)ACD/LogD (pH 7.4): 7.44; (5)ACD/BCF (pH 5.5): 265016.03; (6)ACD/BCF (pH 7.4): 265016.03; (7)ACD/KOC (pH 5.5): 265187.47; (8)ACD/KOC (pH 7.4): 265187.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 87.43 cm³; (15)Molar Volume: 302.3 cm³; (16)Polarizability: 34.66×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 0.907 g/cm³; (19)Flash Point: 190.9 °C; (20)Enthalpy of Vaporization: 62.81 kJ/mol; (21)Boiling Point: 380 °C at 760 mmHg; (22)Vapour Pressure: 5.62E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)C1=CC=C(C=C1)C
(2)InChI: InChI=1S/C19H30O/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3
(3)InChIKey: LDOWFDQKDRZLSJ-UHFFFAOYSA-N

Product Name

1-(4-methylphenyl)dodecan-1-one

1-Dodecanone,1-(4-methylphenyl)- Specification

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