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Chemical structure of Ketoisophorone

GC38699

Ketoisophorone

Also known as 2,6,6-trimethylcyclohex-2-ene-1,4-dione

Ketoisophorone (4-Oxoisophorone) is a key intermediate in the synthesis of carotenoids and flavouring agents

ChemicalCAS1125-21-9MW152.19FormulaC9H12O2
CAS number
1125-21-9
Molecular weight
152.19
Formula
C9H12O2
Solubility
DMSO ： 100 mg/mL (657·07 mM; Need ultrasonic)
InChIKey
AYJXHIDNNLJQDT-UHFFFAOYSA-N
Catalogue number
GC38699
Brand
GLPBIO
Computed properties PubChem CID 62374 · XLogP 1 · TPSA 34.1 Ų · H-bond donors 0
XLogP
1
TPSA
34.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

SMILES CC1=CC(=O)CC(C1=O)(C)C

Computed descriptors from PubChem (CID 62374), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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