CAS mumber
78-59-1

Molecular formula
C9H14O

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

Retention indicies (RI)

• DB5: 1118.0
• Carbowax: 1582.0

XLogP3-AA
1.6 Well soluble in DEP, MMB, TEC

Molecular weight
138.21 g/mol

Melting points

• 18 °F (NTP, 1992)
• -8.1 °C
• -8.1 °C
• -8 °C
• 17 °F
• 17 °F

Boiling points

• 419.4 °F at 760 mmHg (NTP, 1992)
• 215.32 °C
• 213.00 to 215.00 °C. @ 760.00 mm Hg
• 215 °C
• 419.4 °F
• 419 °F

Flash points

• 184 °F (NTP, 1992)
• 84 °C
• 184 °F (84 °C) CLOSED CUP
• 84 °C c.c.
• 184 °F
• 184 °F

Solubilities

• 0.1 to 1 mg/mL at 64 °F (NTP, 1992)
• Soluble in ether, acetone, alcohol
• Has high solvent power for vinyl resins, cellulose esters, ether, and many substances soluble with difficulty in other solvents.
• In water, 12,000 mg/l @ 25 °C.
• 12 mg/mL at 25 °C
• Solubility in water, g/100ml at 25 °C: 1.2
• slightly soluble in water; soluble in ether and acetone
• Miscible at room temperature (in ethanol)
• 1%

• ISOPHORONE
• 78-59-1
• 3,5,5-Trimethylcyclohex-2-en-1-one
• Isoacetophorone
• Isoforone
• 3,5,5-Trimethyl-2-cyclohexen-1-one
• Isooctopherone
• Isoforon
• Izoforon
• 3,5,5-Trimethylcyclohex-2-enone
• alpha-Isophorone
• 2-Cyclohexen-1-one, 3,5,5-trimethyl-
• Isophoron
• .alpha.-Isophoron
• 1,1,3-Trimethyl-3-cyclohexene-5-one
• .alpha.-Isophorone
• Caswell No. 506
• 3,5,5-Trimethyl-2-cyclohexenone
• FEMA No. 3553
• NCI-C55618
• 3,5,5-Trimethyl-2-cyclohexen-1-on
• CCRIS 1353
• HSDB 619
• ISOPHORONE, REAG
• NSC 403657
• a-Isophorone
• UNII-2BR99VR6WA
• EINECS 201-126-0
• 2BR99VR6WA
• 3,5,5-Trimetil-2-cicloesen-1-one
• 3,5,5-Trimethylcyclohexenone
• Isophorone, 97%
• EPA Pesticide Chemical Code 047401
• BRN 1280721
• ISOACETOPHORON
• nchem.180-comp3
• 3,5,5-Trimethylcyclohexen one
• DTXSID8020759
• CHEBI:34800
• AI3-00046
• ISOPHORONE [MI]
• ISOPHORONE [FHFI]
• ISOPHORONE [HSDB]
• 1,5,5-Trimethyl-1-cyclohexen-3-one
• NSC-403657
• 3,5,5-Trimethyl-2-cyclohexene-1-one
• DTXCID40759
• FEMA 3553
• NSC4881
• EC 201-126-0
• 4-07-00-00165 (Beilstein Handbook Reference)
• 3,5,5-Trimethylcyclohexen-2-one-1
• 3,3,5-Trimethyl-2-cyclohexen-1-one
• 3,5,5-trimethylcyclohex-2-ene-1-one
• 1,1, 3-Trimethyl-3-cyclohexene-5-one
• 3,5, 5-Trimethyl-2-cyclohexene-1-one
• 1,3,3-TRIMETHYLCYLOHEXEN-5-ONE
• 1,5,5-TRIMETHYL-3-OXOCYCLOHEXENE
• Izoforon [Polish]
• 3,5-Trimethyl-2-cyclohexenone
• Isoforone [Italian]
• 3,5-Trimetil-2-cicloesen-1-one
• 3,5-Trimethyl-2-cyclohexen-1-one
• 1,3-Trimethyl-3-cyclohexene-5-one
• 3,5-Trimethyl-2-cyclohexene-1-one
• WLN: L6V BUTJ C1 D1 D1
• 2-Cyclohexen-1-one,5,5-trimethyl-
• CAS-78-59-1
• 3,5-Trimethyl-2-cyclohexen-1-on (GERMAN, DUTCH)
• alpha -isophoron
• alpha -isophorone
• 3,5,5-Trimetil-2-cicloesen-1-one [Italian]
• cyclohexane-1-one
• Caswell no 506
• MFCD00001584
• 3,5,5-Trimethyl-2-cyclohexen-1-on [German, Dutch]
• 3,5,5-Trimethyl-2-cyclo-hexen-1-one
• Isophorone (ACGIH:OSHA)
• Pesticide Code: 047401
• SCHEMBL22522
• Isophorone, >=97%, FG
• 3,5,5Trimethyl2cyclohexenone
• 3,5,5Trimetil2cicloesen1one
• BIDD:ER0627
• 3,5,5Trimethyl2cyclohexen1on
• Isophorone, analytical standard
• 3,5,5Trimethyl2cyclohexen1one
• 1,1,3Trimethyl3cyclohexene5one
• CHEMBL1882894
• 3,5,5-TRIMETHYL-2-
• 2Cyclohexen1one, 3,5,5trimethyl
• 3,5,5-trimethyl-cyclohex-2-enone
• HY-Y0932
• NSC-4881
• Tox21_202312
• Tox21_300050
• BBL027346
• NSC403657
• s2998
• STK801792
• AKOS000120392
• AKOS025243269
• 3,3,5-Trimethyl-5-cyclohexen-1-one
• 3,5,5-trimethylcyclohexa-2-en-1-one
• 3,3,5-trimethyl-cyclohex-5-en-1-one
• 3,5,5-trimethyl-cyclohex-2-en-1-one
• NCGC00164006-01
• NCGC00164006-02
• NCGC00164006-03
• NCGC00254115-01
• NCGC00259861-01
• 3,3,5-trimethyl-cyclohex-5 -en-1-one
• AC-10580
• DA-64558
• FI180271
• VS-08530
• Isophorone, Vetec(TM) reagent grade, 97%
• CS-0015924
• I0151
• NS00005755
• 3,5,5-TRIMETHYL-5-CYCLOHEXEN-1-ONE
• EN300-20384
• D72515
• Q415519
• F0001-2053
• Z104477948