Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Heptadecanoic acid,ethyl ester |
EINECS | 237-822-6 |
CAS No. | 14010-23-2 | Density | 0.863 g/cm3 |
PSA | 26.30000 | LogP | 6.42090 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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; |
Article Data | 10 |
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