Benzoic acid,C12-15-alkyl esters supplier

Name
Benzoic acid, C12-15-alkyl esters
EINECS 270-112-4
CAS No. 68411-27-8
Article Data9
CAS DataBase
Density 0.94 g/cm³
Solubility 2.47-174000μg/L at 20-30℃
Melting Point
Formula C₁₉H₃₀O₂
Boiling Point 383.6 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 162 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms C12-15 Alkyl benzoate;Benzoesure, Alkyl(C12-C15)ester;benzoic acid,c12-c15 alkyl esters;Dodecyl/pentadecyl benzoate;Alkyl (C12-15) benzoate [usan];
PSA 26.30000
LogP 5.76430

Benzoic acid,C12-15-alkyl esters Specification

The CAS register number of Benzoic acid,C12-15-alkyl esters is 68411-27-8. It also can be called as Benzoesure, Alkyl(C12-C15)ester and the systematic name about this chemical is dodecyl benzoate. The molecular formula about this chemical is C₁₉H₃₀O₂ and the molecular weight is 290.4403.

Physical properties about Benzoic acid,C12-15-alkyl esters are: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.04; (4)ACD/LogD (pH 7.4): 8.04; (5)ACD/BCF (pH 5.5): 760338.88; (6)ACD/BCF (pH 7.4): 760338.88; (7)ACD/KOC (pH 5.5): 563890.75; (8)ACD/KOC (pH 7.4): 563890.75; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 13; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.487; (13)Molar Refractivity: 88.98 cm³; (14)Molar Volume: 308.9 cm³; (15)Polarizability: 35.27x10^-24cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 0.94 g/cm³; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 63.21 kJ/mol; (20)Boiling Point: 383.6 °C at 760 mmHg; (21)Vapour Pressure: 4.36E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCC)c1ccccc1
(2)InChI: InChI=1/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
(3)InChIKey: DLAHAXOYRFRPFQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
(5)Std. InChIKey: DLAHAXOYRFRPFQ-UHFFFAOYSA-N

Product Name

Benzoic acid, C12-15-alkyl esters

Benzoic acid,C12-15-alkyl esters Specification

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