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| CAS No.: | 6283-92-7 |
|---|---|
| Name: | LAURYL LACTATE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C15H30O3 |
| Molecular Weight: | 258.401 |
| Synonyms: | Lacticacid, dodecyl ester (7CI);Ceraphyl 31;Chrystap HYL 98;Crodamol LL;CyclochemLVL;Dodecyl lactate;Lauryl lactate;NSC 7752;Pelemol LL; |
| EINECS: | 228-504-8 |
| Density: | 0.931 g/cm3 |
| Boiling Point: | 304.1 °C at 760 mmHg |
| Flash Point: | 133.1 °C |
| Solubility: | 0.1g/L(25 oC) |
| Appearance: | Clear Liquid |
| PSA: | 46.53000 |
| LogP: | 3.83130 |
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- Total:26 Page 1 of 1 1
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Specification
The Propanoic acid, 2-hydroxy-, dodecyl ester, with the CAS registry number of 6283-92-7, is also known as 2-Hydroxy-propanoic acid dodecyl ester and Lactic acid dodecyl ester. Its EINECS registry number is 228-504-8. This chemical's molecular formula is C15H30O3 and molecular weight is 258.3969. What's more, its IUPAC name is Dodecyl 2-hydroxypropanoate.
Physical properties about Propanoic acid, 2-hydroxy-, dodecyl ester are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4631.68; (6)ACD/BCF (pH 7.4): 4631.67; (7)ACD/KOC (pH 5.5): 14639.58; (8)ACD/KOC (pH 7.4): 14639.55; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 74.81 cm3; (15)Molar Volume: 277.5 cm3; (16)Polarizability: 29.65×10-24 cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.931 g/cm3; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 63.15 kJ/mol; (21)Boiling Point: 304.1 °C at 760 mmHg; (22)Vapour Pressure: 8.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCC)C(O)C
(2) InChI: InChI=1/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14,16H,3-13H2,1-2H3
(3) InChIKey: QQQMUBLXDAFBRH-UHFFFAOYAD