Dodecanoic acid,2-ethylhexyl ester supplier

Name
2-ethylhexyl laurate
EINECS 243-697-9
CAS No. 20292-08-4
Article Data5
CAS DataBase
Density 0.862 g/cm³
Solubility 1.44μg/L at 25℃
Melting Point
Formula C₂₀H₄₀O₂
Boiling Point 354.6 °C at 760 mmHg
Molecular Weight 312.536
Flash Point 170.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lauricacid, 2-ethylhexyl ester (8CI);2-Ethylhexyl laurate;Pastell 2H12;
PSA 26.30000
LogP 6.66690

Dodecanoic acid,2-ethylhexyl ester Specification

The Dodecanoic acid,2-ethylhexyl ester, with the CAS registry number 20292-08-4, is also known as 2-Ethylhexyl laurate. Its EINECS registry number is 243-697-9. This chemical's molecular formula is C₂₀H₄₀O₂ and molecular weight is 312.5304. What's more, both its IUPAC name and systematic name are the same which is called 2-Ethylhexyl dodecanoate.

Physical properties about Dodecanoic acid,2-ethylhexyl 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) #H bond donors: 0; (11) #Freely Rotating Bonds: 17; (12) Polar Surface Area: 26.3 Å²; (13) Index of Refraction: 1.444; (14) Molar Refractivity: 96.43 cm³; (15) Molar Volume: 362.5 cm³; (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(OCC(CCCC)CC)CCCCCCCCCCC
(2) InChI: InChI=1/C20H40O2/c1-4-7-9-10-11-12-13-14-15-17-20(21)22-18-19(6-3)16-8-5-2/h19H,4-18H2,1-3H3
(3) InChIKey: LWLRMRFJCCMNML-UHFFFAOYAH

Product Name

2-ethylhexyl laurate

Dodecanoic acid,2-ethylhexyl ester Specification

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