Octadecanoic acid,16-methyl-, methyl ester supplier

Name
METHYL 16-METHYLOCTADECANOATE
EINECS
CAS No. 2490-16-6
Density 0.862 g/cm³
Solubility
Melting Point
Formula C₂₀H₄₀O₂
Boiling Point 354.6 °C at 760 mmHg
Molecular Weight 312.53
Flash Point 170.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl16-methyloctadecanoate;
PSA 26.30000
LogP 6.66690

Octadecanoic acid,16-methyl-, methyl ester Specification

The Octadecanoic acid,16-methyl-, methyl ester is an organic compound with the formula C₂₀H₄₀O₂. The systematic name of this chemical is methyl 16-methyloctadecanoate. With the CAS registry number 2490-16-6, it is also named as 16-Methylstearic acid methyl ester.

Physical properties about Octadecanoic acid,16-methyl-, methyl ester are: (1)ACD/LogP: 9.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.03; (4)ACD/LogD (pH 7.4): 9.03; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1937033; (8)ACD/KOC (pH 7.4): 1937033; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 96.43 cm³; (14)Molar Volume: 362.5 cm³; (15)Polarizability: 38.23×10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.862 g/cm³; (18)Flash Point: 170.9 °C; (19)Enthalpy of Vaporization: 59.97 kJ/mol; (20)Boiling Point: 354.6 °C at 760 mmHg; (21)Vapour Pressure: 3.31E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCC(C)CC
(2)InChI: InChI=1/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
(3)InChIKey: IAAPBHVWQFGAED-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
(5)Std. InChIKey: IAAPBHVWQFGAED-UHFFFAOYSA-N

Product Name

METHYL 16-METHYLOCTADECANOATE

Octadecanoic acid,16-methyl-, methyl ester Specification

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