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| CAS No.: | 1323-03-1 |
|---|---|
| Name: | LACTIC ACID TETRADECYL ESTER |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C17H34O3 |
| Molecular Weight: | 286.455 |
| Synonyms: | Lacticacid, tetradecyl ester (8CI);Cegesoft C 17;Ceraphyl 50;Crodamol ML;DermolML;Myristyl lactate;Tetradecyl lactate; |
| EINECS: | 215-350-1 |
| Density: | 0.922 g/cm3 |
| Melting Point: | 23 °C |
| Boiling Point: | 330 °C at 760 mmHg |
| Flash Point: | 147.1 °C |
| Solubility: | 600μg/L at 25℃ |
| Appearance: | White to slightly yellowish solid mass with mild inherent odour |
| PSA: | 46.53000 |
| LogP: | 4.61150 |
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Specification
The Propanoic acid,2-hydroxy-, tetradecyl ester, with CAS registry number 1323-03-1, has the systematic name of tetradecyl 2-hydroxypropanoate. Besides this, it is also called Lactic acid tetradecyl ester. And the chemical formula of this chemical is C17H34O3. What's more, its EINECS is 215-350-1. This chemical can be prepared by 1-Tetradecanol and lactic acid. This reaction is the esterification reaction.
Physical properties of Propanoic acid,2-hydroxy-, tetradecyl ester: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.19; (4)ACD/LogD (pH 7.4): 6.19; (5)ACD/BCF (pH 5.5): 29743.4; (6)ACD/BCF (pH 7.4): 29743.33; (7)ACD/KOC (pH 5.5): 55416.3; (8)ACD/KOC (pH 7.4): 55416.18; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 84.07 cm3; (15)Molar Volume: 310.5 cm3; (16)Polarizability: 33.33×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.922 g/cm3; (19)Flash Point: 147.1 °C; (20)Enthalpy of Vaporization: 66.34 kJ/mol; (21)Boiling Point: 330 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCC)C(O)C
(2)InChI: InChI=1/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16,18H,3-15H2,1-2H3
(3)InChIKey: BORJONZPSTVSFP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16,18H,3-15H2,1-2H3
(5)Std. InChIKey: BORJONZPSTVSFP-UHFFFAOYSA-N
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