Heptadecanoic acid,ethyl ester supplier

Name
ETHYL HEPTADECANOATE
EINECS 237-822-6
CAS No. 14010-23-2
Article Data10
CAS DataBase
Density 0.863 g/cm³
Solubility
Melting Point 28 °C
Formula C₁₉H₃₈O₂
Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 298.51
Flash Point 155.2 °C
Transport Information
Appearance
Safety
Risk Codes R25; R36/37/38; R20/21/22
Molecular Structure
Hazard Symbols T,C,Xi,Xn
Synonyms Ethylheptadecanoate;Ethyl margarate;Ethyl n-heptadecanoate;Margaric acid ethylester;NSC 137831;
PSA 26.30000
LogP 6.42090

Heptadecanoic acid,ethyl ester Specification

The CAS registry number of Heptadecanoic acid, ethyl ester is 14010-23-2. Its EINECS registry number is 237-822-6. The IUPAC name is ethyl heptadecanoate. In addition, the molecular formula is C₁₉H₃₈O₂ and the molecular weight is 298.50. It is also called ethyl margarate. What's more, it should be stored in a cool and dry place.

Physical properties about Heptadecanoic acid, ethyl ester are: (1)ACD/LogP: 8.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.68; (4)ACD/LogD (pH 7.4): 8.68; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1253590; (8)ACD/KOC (pH 7.4): 1253590; (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: 91.84 cm³; (14)Molar Volume: 345.6 cm³; (15)Polarizability: 36.41 ×10^-24cm³; (16)Surface Tension: 30.5 dyne/cm; (17)Density: 0.863 g/cm³; (18)Flash Point: 155.2 °C; (19)Enthalpy of Vaporization: 58.09 kJ/mol; (20)Boiling Point: 337.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
(3)InChIKey: KNXMUFRWYNVISA-UHFFFAOYAJ

Product Name

ETHYL HEPTADECANOATE

Heptadecanoic acid,ethyl ester Specification

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