CAS No.1072-33-9,TRIDECYL ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1072-33-9
Name:	TRIDECYL ACETATE
Article Data:	7

Formula:	C₁₅H₃₀O₂
Molecular Weight:	242.402
Synonyms:	1-Tridecanol,acetate (6CI,7CI,8CI,9CI);1-Tridecyl acetate;Tridecanyl acetate;Tridecylacetate;
Density:	0.866 g/cm³
Melting Point:	8.4°C
Boiling Point:	287.3 °C at 760 mmHg
Flash Point:	126.6 °C
Solubility:	0.116 mg/L 25 °C
Appearance:	liquid
PSA:	26.30000
LogP:	4.86050

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Specification

This chemical is called 1-Tridecanol, 1-acetate, and its IUPAC name is tridecyl acetate. With the molecular formula of C₁₅H₃₀O₂, its molecular weight is 242.40. The CAS registry number of this chemical is 1072-33-9. Additionally, its product categories are Alcohol Acetates; Esters; Saturated Fatty Acids and Derivatives.

Other characteristics of the 1-Tridecanol, 1-acetate can be summarised as followings: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 56289.61; (6)ACD/BCF (pH 7.4): 56289.61; (7)ACD/KOC (pH 5.5): 87485.88; (8)ACD/KOC (pH 7.4): 87485.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 73.31 cm³; (15)Molar Volume: 279.6 cm³; (16)Polarizability: 29.06×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.866 g/cm³; (19)Flash Point: 126.6 °C; (20)Enthalpy of Vaporization: 52.64 kJ/mol; (21)Boiling Point: 287.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00251 mmHg at 25°C.

You can still convert the following datas into molecular structure
1.SMILES: O=C(OCCCCCCCCCCCCC)C
2.InChI: InChI=1/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3
3.InChIKey: ZDRNMODJXFOYMN-UHFFFAOYAQ