Name: ALPHA,ALPHA-DIMETHYL-GAMMA-BUTYROLACTONE
SKU: 3709-08-8

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Basic Information

Molecular Structure:
CAS No.:	3709-08-8
Name:	ALPHA,ALPHA-DIMETHYL-GAMMA-BUTYROLACTONE
Article Data:	1

Formula:	C₆H₁₀O₂
Molecular Weight:	114.144
Synonyms:	Butyricacid, 4-hydroxy-2,2-dimethyl-, g-lactone (6CI,7CI,8CI);2,2-Dimethyl-g-butyrolactone;2,2-Dimethylbutyrolactone;3,3-Dimethyldihydrofuran-2(3H)-one;Dihydro-3,3-dimethyl-2(3H)-furanone;NSC 1094;a,a-Dimethyl-g-butyrolactone;
Density:	0.995 g/cm³
Melting Point:	6 °C
Boiling Point:	191.5 °C at 760 mmHg
Flash Point:	66.9 °C
PSA:	26.30000
LogP:	0.95950

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Specification

This chemical is called 2(3H)-Furanone,dihydro-3,3-dimethyl-, and its systematic name is 3,3-dimethyldihydrofuran-2(3H)-one. With the molecular formula of C₆H₁₀O₂, its molecular weight is 114.14. The CAS registry number of this chemical is 3709-08-8.

Other characteristics of the 2(3H)-Furanone,dihydro-3,3-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.35; (8)ACD/KOC (pH 7.4): 33.35; (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: 1.428; (14)Molar Refractivity: 29.5 cm³; (15)Molar Volume: 114.6 cm³; (16)Polarizability: 11.69×10^-24cm³; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.995 g/cm³; (19)Flash Point: 66.9 °C; (20)Enthalpy of Vaporization: 42.77 kJ/mol; (21)Boiling Point: 191.5 °C at 760 mmHg; (22)Vapour Pressure: 0.513 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1OCCC1(C)C
2.InChI: InChI=1/C6H10O2/c1-6(2)3-4-8-5(6)7/h3-4H2,1-2H3
3.InChIKey: UPVAIJPDWVTFKT-UHFFFAOYAO