3-Methylbutyrolactone supplier

Name
dihydro-4-methyl 2(3H)-furanone
EINECS 264-725-6
CAS No. 1679-49-8
Article Data73
CAS DataBase
Density 1.04 g/cm³
Solubility
Melting Point
Formula C₅H₈O₂
Boiling Point 206.624 °C at 760 mmHg
Molecular Weight 100.117
Flash Point 74.98 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 4-hydroxy-3-methyl-, g-lactone (6CI,7CI);3-Methyl-g-butyrolactone;4-Hydroxy-3-methylbutyric acid g-lactone;4-Methyldihydrofuran-2-one;4-Methyltetrahydrofuran-2-one;Dihydro-4-methyl-2(3H)-furanone;NSC 134770;Tetrahydro-4-methyl-2-furanone;b-Methyl-g-butyrolactone;g-Isopentyllactone;
PSA 26.30000
LogP 0.56940

3-Methylbutyrolactone Specification

The 3-Methylbutyrolactone, with the CAS registry number 1679-49-8, is also known as Dihydro-4-methyl-2(3H)-furanone. This chemical's molecular formula is C₅H₈O₂ and molecular weight is 100.05. What's more, its systematic name is 4-Methyldihydro-2(3H)-furanone.

Physical properties of 3-Methylbutyrolactone are: (1)ACD/LogP: -0.096; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.10; (4)ACD/LogD (pH 7.4): -0.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.12; (8)ACD/KOC (pH 7.4): 21.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.431 ; (14)Molar Refractivity: 24.891 cm³; (15)Molar Volume: 96.249 cm³; (16)Polarizability: 9.867×10^-24cm³; (17)Surface Tension: 29.38 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 74.98 °C; (20)Enthalpy of Vaporization: 44.287 kJ/mol; (21)Boiling Point: 206.624 °C at 760 mmHg; (22)Vapour Pressure: 0.23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCC(C)C1
(2)Std. InChI: InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
(3)Std. InChIKey: ALZLTHLQMAFAPA-UHFFFAOYSA-N

Product Name

dihydro-4-methyl 2(3H)-furanone

3-Methylbutyrolactone Specification

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