3,5,5-Trimethyl-2-cyclohexene-1,4-dione

  • Identifiers

    CAS mumber
    1125-21-9

    Molecular formula
    C9H12O2

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

    Retention indicies (RI)

    • DB5: 1142.0
    • Carbowax: 1655.0

  • Properties

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

    Molecular weight
    152.19 g/mol

    Melting points

    • 21 °C

    Boiling points

    • 92.00 to 94.00 °C. @ 11.00 mm Hg

    Solubilities

    • slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1125-21-9
    • Ketoisophorone
    • 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
    • 4-Oxoisophorone
    • 2,6,6-Trimethylcyclohex-2-ene-1,4-dione
    • 4-Ketoisophorone
    • Oxopholone
    • keto-Isophorone
    • Oxophorone
    • 2-CYCLOHEXENE-1,4-DIONE, 2,6,6-TRIMETHYL-
    • 6-Oxoisophorone
    • 4-Oxo-alpha-isophorone
    • FEMA No. 3421
    • Oxoisophorone
    • UNII-72WY3KLB5R
    • 3,5,5-Trimethyl-2-cyclohexene-1,4-dione
    • EINECS 214-406-2
    • 72WY3KLB5R
    • DTXSID9021685
    • 2,6,6-Trimethyl-2-cyclohexen-1,4-dione
    • MFCD00043119
    • DTXCID701685
    • FEMA 3421
    • EC 214-406-2
    • 2,2,6-trimethylcyclohex-2-en-1,4-dione
    • 3,5,5-Trimethylcyclohex-2-en-1,4-dione
    • 3,5,5-trimethylcyclohex-2-ene-1,4-dione
    • 2-Cyclohexen-1,4-dione, 2,6,6-trimethyl
    • 2-cyclohexene-1,4-dione, 2,6,6-trimethyl
    • 2,2,6-Trimethyl-2-cyclohexene-1,4-dione (cetoisophorone)
    • 2,6,6-TRIMETHYLCYCLOHEX-2-ENE-1,4-DIONE [FHFI]
    • 2,2,6-Trimethylcyclohex-2-en-1,4-dione (4-oxo-isophorone)
    • 2,6,6-Trimethy-2-cyclohexene-1,4-dione (4-oxoisophorone)
    • OIP cpd
    • TMEC-E-D
    • 4-Oxo-.alpha.-isophorone
    • SCHEMBL444616
    • 4-Oxoisophorone, >=98%, FG
    • CHEBI:179251
    • Tox21_201193
    • BBL027987
    • s3991
    • STK801843
    • AKOS005622552
    • CCG-266233
    • NCGC00248952-01
    • NCGC00258745-01
    • AS-14431
    • SY049954
    • 2,6,6-trimethylcyclohex-2-en-1,4-dione
    • 2,6,6-trimethylcyclohex-2-ene-1,4-dion
    • CAS-1125-21-9
    • DB-003240
    • HY-107832
    • 2,2,6-Trimethyl-cyclohex-5-en-1,4-dione
    • 2,6,6-trimethyl-cyclohex-2-ene-1,4-dione
    • 3,5,5-trimethyl-cyclohex-2-en-1,4-dione
    • CS-0030708
    • K0034
    • NS00010663
    • EN300-198525
    • F12784
    • 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 98%
    • Q1490748
    • Z1255438584
    • 2,6,6-Trimethyl-2-cyclohexene-1,4-dione, analytical standard
    • 214-406-2
1 3

Botanical

Name CAS Botanical Proportion
Saffron 1 8022-19-3 Crocus sativus L., fam. Iridaceae 1.1%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.6%
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 4.1%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%