6-Tridecanone supplier | CasNO.22026-12-6

Name
6-Tridecanone
EINECS 244-728-9
CAS No. 22026-12-6
Article Data9
CAS DataBase
Density 0.825 g/cm³
Solubility
Melting Point 27.5°C (estimate)
Formula C₁₃H₂₆O
Boiling Point 260.7 °C at 760 mmHg
Molecular Weight 198.349
Flash Point 79.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms n-Amyl n-heptyl ketone;
PSA 17.07000
LogP 4.49630

6-Tridecanone Specification

The 6-Tridecanone, with the CAS registry number of 22026-12-6, is also known as n-Amyl n-heptyl ketone. Its EINECS registry number is 244-728-9. This chemical's molecular formula is C₁₃H₂₆O and molecular weight is 198.34. What's more, its IUPAC name is Tridecan-6-one.

Physical properties about the 6-Tridecanone are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.16; (4)ACD/LogD (pH 7.4): 5.16; (5)ACD/BCF (pH 5.5): 4883.16; (6)ACD/BCF (pH 7.4): 4883.16; (7)ACD/KOC (pH 5.5): 15204.25; (8)ACD/KOC (pH 7.4): 15204.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 62.3 cm³; (15)Molar Volume: 240.2 cm³; (16)Surface Tension: 28.3 dyne/cm; (17)Density: 0.825 g/cm³; (18)Flash Point: 79.7 °C; (19)Enthalpy of Vaporization: 49.84 kJ/mol; (20)Boiling Point: 260.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CCCCCCC)CCCCC
(2) InChI: InChI=1/C13H26O/c1-3-5-7-8-10-12-13(14)11-9-6-4-2/h3-12H2,1-2H3
(3) InChIKey: KPVFRXPKBAAIIE-UHFFFAOYAC

Product Name

6-Tridecanone

6-Tridecanone Specification

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