CAS 14397-59-2

2-Cyclohexen-1-one-2,4,4,6,6-d5, 5,5-dimethyl-3-(methyl-d3)-

Description:

2-Cyclohexen-1-one-2,4,4,6,6-d5, 5,5-dimethyl-3-(methyl-d3)- is a deuterated derivative of cyclohexenone, characterized by the presence of multiple deuterium atoms, which are isotopes of hydrogen. This compound features a cyclohexene ring with a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of deuterium enhances its utility in NMR spectroscopy, allowing for detailed structural analysis and tracking of reaction pathways. The dimethyl and methyl groups indicate that the compound has a complex substitution pattern, which can influence its physical properties, such as boiling point and solubility. Additionally, the presence of deuterium can affect the compound's kinetic isotope effects, making it valuable in mechanistic studies. Overall, this compound is of interest in both synthetic organic chemistry and analytical applications due to its unique isotopic labeling and structural features.

Formula: C₉H₆D₈O

InChI: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3/i1D3,4D,5D2,6D2

InChI key: InChIKey=HJOVHMDZYOCNQW-WOACEMEVSA-N

SMILES: CC1(C)C(C(C([2H])([2H])[2H])=C(C(=O)C1([2H])[2H])[2H])([2H])[2H]

Synonyms:

• (2,4,4,6,6-D5
• 2-Cyclohexen-1-one-2,4,4,6,6-d₅, 5,5-dimethyl-3-(methyl-d₃)-
• 3-methyl-D3) (3,5,5-Trimethyl-2-cyclohexen-1-one)
• Isophorone-D8
• Isophorone-D8 (2,4,4,6,6-D5, 3-Methyl-D3)
• 2-Cyclohexen-1-one-2,4,4,6,6-d5, 5,5-dimethyl-3-(methyl-d3)-

Isophorone-d8 (2,4,4,6,6-d5;3-methyl-d3)

CAS: 14397-59-2, 78-59-1

Purity: 98 atom % D

Color and Shape: Colorless-Pale Yellow Liquid

Molecular weight: 146.26

Ref: 3U-D2304

Isophorone D8 (3-Methyl D3, 2,4,4,6,6-D5)

Controlled Product

CAS: 14397-59-2

Formula: C₉D₈H₆O

Color and Shape: Neat

Molecular weight: 146.26

Ref: 04-CA14446010

Isophorone-d8 (2,4,4,6,6-d5; 3-methyl-d3)

Controlled Product

CAS: 14397-59-2

Applications Isophorone-d8 (2,4,4,6,6-d5; 3-methyl-d3) (CAS# 14397-59-2) is a useful isotopically labeled research compound.

Formula: C₉D₈H₆O

Color and Shape: Neat

Molecular weight: 146.26

Ref: TR-I824106