Octanoic acid, octylester supplier

Name
FEMA 2811
EINECS 218-980-5
CAS No. 2306-88-9
Article Data124
CAS DataBase
Density 0.865 g/cm³
Solubility
Melting Point -18 °C(lit.)
Formula C₁₆H₃₂O₂
Boiling Point 305.5 °C at 760 mmHg
Molecular Weight 256.429
Flash Point 139.8 °C
Transport Information
Appearance colorless clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Caprylicacid, octyl ester (4CI);1-Octanol octanoate;1-Octyl octanoate;Estol 1540EHC;NSC 23957;Octyl caprylate;Octyl octanoate;n-Octyl caprylate;n-Octyln-octanoate;
PSA 26.30000
LogP 5.25060

Octanoic acid, octylester Specification

This chemical is called Octanoic acid, octylester, and it's also named as Octyl octanoate. With the molecular formula of C₁₆H₃₂O₂, its molecular weight is 256.42. The CAS registry number of this chemical is 2306-88-9.

Other characteristics of the Octanoic acid, octylester can be summarised as followings: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 7.08; (5)ACD/BCF (pH 5.5): 142644.31; (6)ACD/BCF (pH 7.4): 142644.31; (7)ACD/KOC (pH 5.5): 170212.84; (8)ACD/KOC (pH 7.4): 170212.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 77.94 cm³; (15)Molar Volume: 296.1 cm³; (16)Polarizability: 30.9×10^-24cm³; (17)Surface Tension: 30 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 139.8 °C; (20)Enthalpy of Vaporization: 54.6 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000817 mmHg at 25°C.

Production method of this chemical: The Octanoic acid, octylester could be obtained by the reactant of octan-1-ol. This reaction needs the reagents of Pb(OAc)₄ and KBr. The yield is 83 %. In addition, this reaction should be taken for 4 hours at the temperature of 20 °C.

The Octanoic acid, octylester could be obtained by the reactant of octan-1-ol

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCCCCCC)CCCCCCC
2.InChI: InChI=1/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
3.InChIKey: DJNTZVRUYMHBTD-UHFFFAOYAG

Product Name

FEMA 2811

Octanoic acid, octylester Specification

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