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42175-34-8

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Basic Information
CAS No.: 42175-34-8
Name: N-DECYLLACTATE
Article Data: 6
Molecular Structure:
Molecular Structure of 42175-34-8 (N-DECYLLACTATE)
Formula: C13H26O3
Molecular Weight: 230.348
Synonyms: 2-Hydroxypropionicacid decyl ester;Decyllactate;Lactic acid decyl ester;NSC 406532;
Density: 0.942 g/cm3
Boiling Point: 277.2 °C at 760 mmHg
Flash Point: 118.5 °C
Solubility: 0.2g/L(25 oC)
PSA: 46.53000
LogP: 3.05110
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Specification

The CAS registry number of Propanoic acid, 2-hydroxy-, decylester is 42175-34-8. This chemical is also named as 2-Hydroxypropanoic acid decyl ester. In addition, its molecular formula is C13H26O3 and molecular weight is 230.3437. Its systematic name and IUPAC name are the same which is called decyl 2-hydroxypropanoate.

Physical properties about Propanoic acid, 2-hydroxy-, decylester are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 12; (6)Index of Refraction: 1.448; (7)Molar Refractivity: 65.54 cm3; (8)Molar Volume: 244.4 cm3; (9)Surface Tension: 33.5 dyne/cm; (10)Density: 0.942 g/cm3; (11)Flash Point: 118.5 °C; (12)Enthalpy of Vaporization: 59.87 kJ/mol; (13)Boiling Point: 277.2 °C at 760 mmHg; (14)Vapour Pressure: 0.000568 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCC)C(O)C
(2)InChI: InChI=1/C13H26O3/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12,14H,3-11H2,1-2H3
(3)InChIKey: FUGCGCXGFWNOSY-UHFFFAOYAT