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3123-97-5

3123-97-5 Structure

3123-97-5 Structure
IdentificationBack Directory
[Name]

5,5-DIMETHYL-DIHYDRO-FURAN-2-ONE
[CAS]

3123-97-5
[Synonyms]

NSC 128078
NSC 221122
AKOS BC-1251
Isocaprolactone
Dimethylbutyrolactone
gamma-Isocaprolactone
4-Methyl-4-pentanolide
4-Methylpentan-4-olide
5,5-dimethyloxolan-2-one
4,4-dimethylbutan-4-olide
2(3H)-FURANONE,DIHYDRO-5,5-DI
4,4-Dimethyl-dihydro-furan-2-one
gamma-Methyl-gamma-valerolactone
5,5-DIMETHYL-DIHYDRO-FURAN-2-ONE
4,4-DIMETHYL-GAMMA-BUTYRO LACTONE
gamma,gamma-Dimethylbutyrolactone
5,5-dimethyltetrahydrofuran-2-one
Tetrahydro-5,5-dimethyl-2-furanone
5,5-Dimethyldihydro-2(3H)-furanone
5,5-Dimethyldihydrofuran-2(3H)-one
Dihydro-5,5-dimethyl-2(3H)-furanone
2(3H)-Furanone, dihydro-5,5-dimethyl-
4,5-Dihydro-5,5-diMethyl-2(3H)-furanone
gamma,gamma-Dimethyl-gamma-butyrolactone
4-Methyl-4-hydroxypentanoic acid lactone
Valeric acid, 4-hydroxy-4'-methyl-, g-lactone
Pentanoic acid 4-hydroxy 4-methyl-gamma-lactone
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD08061147
[MOL File]

3123-97-5.mol
[Molecular Weight]

114.14
Chemical PropertiesBack Directory
[Melting point ]

8 °C
[Boiling point ]

153.66°C (rough estimate)
[density ]

0.9903 (rough estimate)
[refractive index ]

1.4030 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Yellow
[InChI]

1S/C6H10O2/c1-6(2)4-3-5(7)8-6/h3-4H2,1-2H3
[InChIKey]

NPHAVLULUWJQAS-UHFFFAOYSA-N
[SMILES]

CC1(C)CCC(=O)O1
[CAS DataBase Reference]

3123-97-5
Hazard InformationBack Directory
[Chemical Properties]

Yellow Liquid
[Uses]

Intermediate used to produce a variety of pharmaceutical agents, such as analgesic compounds and retinoic acid receptor (RAR) antagonists.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 37, p. 2357, 1972 DOI: 10.1021/jo00979a038
Tetrahedron Letters, 31, p. 2775, 1990 DOI: 10.1016/S0040-4039(00)94696-3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[WGK Germany ]

WGK 3
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Spectrum DetailBack Directory
[Spectrum Detail]

5,5-DIMETHYL-DIHYDRO-FURAN-2-ONE(3123-97-5)1HNMR
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