tert-Butyl-(2S)-2-hydroxypropanoat supplier

Name
tert-Butyl L-lactate
EINECS
CAS No. 13650-70-9
Article Data17
CAS DataBase
Density 1.005 g/cm³
Solubility
Melting Point 42 °C
Formula C₇H₁₄O₃
Boiling Point 161.821 °C at 760 mmHg
Molecular Weight 146.186
Flash Point 49.141 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 46.53000
LogP 0.70890

tert-Butyl-(2S)-2-hydroxypropanoat 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

Product Name

tert-Butyl L-lactate

tert-Butyl-(2S)-2-hydroxypropanoat Specification

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