Ethanone,1-cyclododecyl- supplier

Name
1-cyclododecylethan-1-one
EINECS 249-316-2
CAS No. 28925-00-0
Article Data6
CAS DataBase
Density 0.861 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₆O
Boiling Point 294.4 °C at 760 mmHg
Molecular Weight 210.36
Flash Point 141.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,cyclododecyl methyl (8CI);Acetylcyclododecane;Cyclododecyl methyl ketone;1-cyclododecylethanone;Ethanone, 1-cyclododecyl-;
PSA 17.07000
LogP 4.49630

Ethanone,1-cyclododecyl- Specification

The Ethanone,1-cyclododecyl-, with the CAS registry number 28925-00-0 and EINECS registry number 249-316-2, has the systematic name of 1-cyclododecylethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₂₆O.

The characteristics of Ethanone,1-cyclododecyl- are as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6149.61; (6)ACD/BCF (pH 7.4): 6149.61; (7)ACD/KOC (pH 5.5): 17932.83; (8)ACD/KOC (pH 7.4): 17932.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 64.54 cm³; (15)Molar Volume: 244.1 cm³; (16)Polarizability: 25.58×10^-24cm³; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.861 g/cm³; (19)Flash Point: 141.7 °C; (20)Enthalpy of Vaporization: 53.41 kJ/mol; (21)Boiling Point: 294.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00162 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)C1CCCCCCCCCCC1
(2)InChI: InChI=1/C14H26O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3
(3)InChIKey: FTPUBZGARRXJIM-UHFFFAOYAM

Product Name

1-cyclododecylethan-1-one

Ethanone,1-cyclododecyl- Specification

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