tert-Butyl (S)-3-hydroxybutyrate supplier

Name
(+)-TERT-BUTYL (S)-3-HYDROXYBUTYRATE
EINECS
CAS No. 82578-45-8
Article Data40
CAS DataBase
Density 0.989 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₃
Boiling Point 228.251 °C at 760 mmHg
Molecular Weight 160.213
Flash Point 87.3 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl (3S)-3-hydroxybutanoate;Butanoic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)-;(S)-3-Hydroxy-butyric acid tert-butyl ester;
PSA 46.53000
LogP 1.09900

tert-Butyl (S)-3-hydroxybutyrate Specification

The CAS registry number of Butanoic acid,3-hydroxy-,1,1-dimethylethyl ester,(S)- is 82578-45-8. The IUPAC name is tert-butyl (3S)-3-hydroxybutanoate. In addition, the molecular formula is C₈H₁₆O₃ and the molecular weight is 160.21. It belongs to the classes of Chiral Building Blocks; Esters; Organic Building Blocks.

Physical properties about Butanoic acid,3-hydroxy-,1,1-dimethylethyl ester,(S)- are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.53 Å²; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 42.346 cm³; (9)Molar Volume: 162.002 cm³; (10)Polarizability: 16.787 ×10^-24cm³; (11)Surface Tension: 31.69 dyne/cm; (12)Density: 0.989 g/cm³; (13)Flash Point: 87.3 °C; (14)Enthalpy of Vaporization: 54.041 kJ/mol; (15)Boiling Point: 228.251 °C at 760 mmHg; (16)Vapour Pressure: 0.014 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). And you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C[C@@H](O)C
(2)InChI: InChI=1/C8H16O3/c1-6(9)5-7(10)11-8(2,3)4/h6,9H,5H2,1-4H3/t6-/m0/s1
(3)InChIKey: PKPVFILAHLKSNJ-LURJTMIEBX

Product Name

(+)-TERT-BUTYL (S)-3-HYDROXYBUTYRATE

tert-Butyl (S)-3-hydroxybutyrate Specification

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