2(3H)-Furanone, dihydro-5-methyl-3-propyl- supplier

Name
-Valprolactone
EINECS
CAS No. 40923-58-8
Article Data6
CAS DataBase
Density 0.945 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₂
Boiling Point 232.3 °C at 760 mmHg
Molecular Weight 142.198
Flash Point 88.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-methyl-3-propyldihydrofuran-2(3H)-one;Pentanoic acid, 4-hydroxy-2-propyl, lactone;
PSA 26.30000
LogP 1.73970

2(3H)-Furanone, dihydro-5-methyl-3-propyl- Specification

The CAS registry number of 2(3H)-Furanone, dihydro-5-methyl-3-propyl- is 40923-58-8. The IUPAC name is 5-methyl-3-propyldihydrofuran-2(3H)-one. In addition, the molecular formula is C₈H₁₄O₂ and the molecular weight is 142.1956. It is a kind of colourless liquid and belongs to the classes of Heterocyclic Compounds; Heterocycles; Metabolites & Impurities.

Physical properties about 2(3H)-Furanone, dihydro-5-methyl-3-propyl- are: (1)ACD/LogP: 1.28 ; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 5.56; (5)ACD/BCF (pH 7.4): 5.56; (6)ACD/KOC (pH 5.5): 118.77; (7)ACD/KOC (pH 7.4): 118.77; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.43; (12)Molar Refractivity: 38.85 cm³; (13)Molar Volume: 150.3 cm³; (14)Polarizability: 15.4 ×10^-24cm³; (15)Surface Tension: 26.8 dyne/cm; (16)Density: 0.945 g/cm³; (17)Flash Point: 88.4 °C; (18)Enthalpy of Vaporization: 46.9 kJ/mol; (19)Boiling Point: 232.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0594 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(C)CC1CCC
(2)InChI: InChI=1/C8H14O2/c1-3-4-7-5-6(2)10-8(7)9/h6-7H,3-5H2,1-2H3
(3)InChIKey: NMNZFIPBKPDLGC-UHFFFAOYAG

Product Name

-Valprolactone

2(3H)-Furanone, dihydro-5-methyl-3-propyl- Specification

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