Benzoic acid, octadecyl ester supplier

Name
octadecyl benzoate
EINECS 234-169-9
CAS No. 10578-34-4
Article Data11
CAS DataBase
Density 0.918 g/cm³
Solubility
Melting Point
Formula C₂₅H₄₂O₂
Boiling Point 467.5 °C at 760 mmHg
Molecular Weight 374.607
Flash Point 197.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Octadecanol,benzoate (6CI);Finsolv PPG 15;Octadecyl benzoate;Stearyl benzoate;Benzoic acid, stearyl ester;
PSA 26.30000
LogP 8.10490

Benzoic acid, octadecyl ester Specification

The Benzoic acid, octadecyl ester, with the CAS registry number 10578-34-4, is also known as Stearyl benzoate. Its EINECS number is 234-169-9. This chemical's molecular formula is C₂₅H₄₂O₂ and molecular weight is 374.6. What's more, its systematic name is octadecyl benzoate. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Benzoic acid, octadecyl ester are: (1)ACD/LogP: 11.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.23; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 10000000; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 19; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.484; (11)Molar Refractivity: 116.78 cm³; (12)Molar Volume: 407.9 cm³; (13)Polarizability: 46.29×10^-24cm³; (14)Surface Tension: 34.4 dyne/cm; (15)Density: 0.918 g/cm³; (16)Flash Point: 197.7 °C; (17)Enthalpy of Vaporization: 72.95 kJ/mol; (18)Boiling Point: 467.5 °C at 760 mmHg; (19)Vapour Pressure: 6.47E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)c1ccccc1
(2)InChI: InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)24-21-18-17-19-22-24/h17-19,21-22H,2-16,20,23H2,1H3
(3)InChIKey: KPWVFNOPNOTYNJ-UHFFFAOYSA-N

Product Name

octadecyl benzoate

Benzoic acid, octadecyl ester Specification

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