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CAS No.: | 5405-40-3 |
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Name: | L-PANTOLACTONE |
Article Data: | 103 |
Molecular Structure: | |
Formula: | C6H10O3 |
Molecular Weight: | 130.144 |
Synonyms: | L-(+)-Pantolactone;L-(+)-Pantoyl lactone;L-(+)-a-Hydroxy-b,b-dimethyl-g-butyrolactone;L-Pantolactone;L-Pantoyl lactone;(S)-Pantolactone;(S)-(+)-Pantolactone;(+)-Pantoyl lactone;(+)-Pantolactone;(+)-2-Hydroxy-3,3-dimethyl-g-butyrolactone;2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, (S)-;2(3H)-Furanone,dihydro-3-hydroxy-4,4-dimethyl-, L-(+)- (8CI); |
EINECS: | 201-210-7 |
Density: | 1.166 g/cm3 |
Melting Point: | 90-94 °C |
Boiling Point: | 224.61 °C at 760 mmHg |
Flash Point: | 98.957 °C |
Solubility: | Soluble in water, hardly soluble in alcohol. |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 46.53000 |
LogP: | -0.06970 |
The L-(+)-Pantoyl Lactone, with the CAS registry number 5405-40-3, is also known as 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-. This chemical's molecular formula is C6H10O3 and molecular weight is 130.14. What's more, both its IUPAC name and systematic name are the same which is called (3S)-3-Hydroxy-4,4-dimethyloxolan-2-one. It should be kept in a cold and dry place.
Physical properties about L-(+)-Pantoyl Lactone are: (1) ACD/LogP: -0.80; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 35.53 Å2; (7) Index of Refraction: 1.468; (8) Molar Refractivity: 31.09 cm3; (9) Molar Volume: 111.6 cm3; (10) Surface Tension: 38.1 dyne/cm; (11) Density: 1.165 g/cm3; (12) Flash Point: 99 °C; (13) Enthalpy of Vaporization: 53.61 kJ/mol; (14) Boiling Point: 224.6 °C at 760 mmHg; (15) Vapour Pressure: 0.0181 mmHg at 25 °C; (16) Melting Point: 90-94 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OCC(C)(C)[C@H]1O
(2) InChI: InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3/t4-/m0/s1
(3) InChIKey: SERHXTVXHNVDKA-BYPYZUCNBU