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Basic Information
CAS No.: 13650-70-9
Name: tert-Butyl L-lactate
Article Data: 17
Molecular Structure:
Molecular Structure of 13650-70-9 (tert-Butyl L-lactate)
Formula: C7H14O3
Molecular Weight: 146.186
Synonyms: Lacticacid, tert-butyl ester, L- (8CI);Propanoic acid, 2-hydroxy-, 1,1-dimethylethylester, (S)-;L-Lactic acid tert-butyl ester;tert-Butyl (S)-(-)-lactate;tert-Butyl (S)-2-hydroxypropanoate;tert-Butyl L-lactate;
Density: 1.005 g/cm3
Melting Point: 42 °C
Boiling Point: 161.821 °C at 760 mmHg
Flash Point: 49.141 °C
PSA: 46.53000
LogP: 0.70890
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Specification

The Propanoic acid,2-hydroxy-, 1,1-dimethylethyl ester, (2S)-, with the CAS registry number 13650-70-9, is also known as tert-Butyl-(2S)-2-hydroxypropanoate. It belongs to the product category of API Intermediates. This chemical's molecular formula is C7H14O3 and molecular weight is 146.09. What's more, its systematic name is called 2-Methyl-2-propanyl (2S)-2-hydroxypropanoate.

Physical properties about Propanoic acid,2-hydroxy-, 1,1-dimethylethyl ester, (2S)- are: (1)ACD/LogP: 0.509; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.44 ; (6)ACD/BCF (pH 7.4): 1.44; (7)ACD/KOC (pH 5.5): 45.09; (8)ACD/KOC (pH 7.4): 45.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 37.713 cm3; (15)Molar Volume: 145.496 cm3; (16)Polarizability: 14.951×10-24 cm3; (17)Surface Tension: 31.46 dyne/cm; (18)Density: 1.005 g/cm3; (19)Flash Point: 49.141 °C; (20)Enthalpy of Vaporization: 46.396 kJ/mol; (21)Boiling Point: 161.821 °C at 760 mmHg; (22)Vapour Pressure: 0.77 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C(=O)OC(C)(C)C)O
(2) InChI: InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m0/s1
(3) InChIKey: IXXMVXXFAJGOQO-YFKPBYRVSA-N