ChemicalBook--->CAS DataBase List--->14376-79-5

14376-79-5

14376-79-5 Structure

14376-79-5 Structure
IdentificationMore
[Name]

3,3,5,5-TETRAMETHYLCYCLOHEXANONE
[CAS]

14376-79-5
[Synonyms]

3,3,5,5-TETRAMETHYLCYCLOHEXANONE
3,3,5,5-Tetramethyl-1-cyclohexanone
[EINECS(EC#)]

238-350-3
[Molecular Formula]

C10H18O
[MDL Number]

MFCD00001640
[Molecular Weight]

154.25
[MOL File]

14376-79-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly yellow liquid
[Melting point ]

11-12 °C
[Boiling point ]

200-203 °C
[density ]

0.881 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.451(lit.)
[Fp ]

164 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[color ]

Clear colorless to slightly yellow
[BRN ]

1237421
[InChI]

1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3
[InChIKey]

OQJMHUOCLRCSED-UHFFFAOYSA-N
[SMILES]

CC1(C)CC(=O)CC(C)(C)C1
[CAS DataBase Reference]

14376-79-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to slightly yellow liquid
[Uses]

3,3,5,5-Tetramethylcyclohexanone (cas# 14376-79-5) is a useful research chemical and a pharmaceutical intermediate.
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 3463, 1984 DOI: 10.1016/S0040-4039(01)91048-2
[Purification Methods]

Purify the ketone first through a 24inch column packed with Raschig rings, then a 40cm Vigreux column (p 11) under reduced pressure (b 69-69.3o/7mm, see above). The oxime has m 144-145o (from 60% EtOH), and the semicarbazone has m 196-197o, 197-198o (214.5o, 217-218o) [Karasch & Tawney J Am Chem Soc 63 2308 1941, UV: Sandris & Ourisson Bull Soc Chim Fr 958 1956]. [Beilstein 7 III 163, 7 IV 89.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,3,5,5-TETRAMETHYLCYCLOHEXANONE(14376-79-5)1HNMR
3,3,5,5-TETRAMETHYLCYCLOHEXANONE(14376-79-5)IR
3,3,5,5-TETRAMETHYLCYCLOHEXANONE(14376-79-5)FT-IR
3,3,5,5-TETRAMETHYLCYCLOHEXANONE(14376-79-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,3,5,5-Tetramethylcyclohexanone, 98%(14376-79-5)
[Sigma Aldrich]

14376-79-5(sigmaaldrich)
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