• Identifiers

    CAS mumber
    23696-85-7

    Molecular formula
    C13H18O

    SMILES
    C/C=C/C(=O)C1=C(C=CCC1(C)C)C

    Retention indicies (RI)

    • DB5: 1389.0
    • Carbowax: 1820.57
  • Properties

    XLogP3-AA
    3.2 Well soluble in DEP, BB, MMB

    Molecular weight
    190.28 g/mol

    Boiling points

    • 274.00 to 276.00 °C. @ 760.00 mm Hg

    Solubilities

    • 1 ml in 10 ml 95% alcohol (in ethanol)

  • Synonyms

    • Damascenone
    • beta-Damascenone
    • 23696-85-7
    • 23726-93-4
    • trans-beta-Damascenone
    • trans-damascenone
    • .beta.-Damascenone
    • 2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
    • 1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • (E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • Damascenone (natural)
    • FEMA No. 3420
    • (E)-.beta.-Damascenone
    • U66V25TBO0
    • (E)-beta-damascenone
    • beta-(E)-damascenone
    • (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • EINECS 245-833-2
    • EINECS 245-844-2
    • (2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • DAMASCENONE,.BETA.-
    • 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one
    • TRANS-.BETA.-DAMASCENON
    • DTXSID6041397
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • CHEBI:67251
    • .BETA.-DAMASCENONE [MI]
    • DTXCID80196511
    • DTXSID90885242
    • .BETA.-DAMASCENON, TRANS-
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
    • 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one
    • (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
    • 2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
    • 2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
    • (e)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
    • 4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE [FHFI]
    • UNII-U66V25TBO0
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2E-buten-1-one
    • 1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2-buten-1-one
    • Damascenone, trans-
    • MFCD00101024
    • damascenone (e-beta)
    • Damascenone (Standard)
    • ?-Damascenone, 90%
    • DAMASCENONE,BETA-
    • trans-.beta.-Damascenone
    • .beta.-(E)-Damascenone
    • TRANS-BETA-DAMASCENON
    • SCHEMBL80947
    • BETA-DAMASCENON, TRANS-
    • Damascenone, analytical standard
    • CHEMBL3733030
    • DTXCID4021397
    • HY-N2543R
    • 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene; 2,6,6-Trimethyl-1-(2-butenoyl)-1,3-cyclohexadiene
    • HY-N2543
    • Tox21_304001
    • LMPR01070304
    • s6431
    • AKOS015914961
    • FD74155
    • NCGC00357220-01
    • AC-34815
    • BS-16271
    • FD174945
    • CAS-23696-85-7
    • CS-0022815
    • NS00013181
    • 1-crotonoyl-2,6,6-trimethylcyclohexa-1,3-diene
    • 2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene
    • A816852
    • Q416126
    • 4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl)but-2-en-4-one
    • 4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE
    • Damascenone, natural, 1.1-1.3 wt. % (190 proof ethanol), FG
    • (2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one
    • 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans-
    • 245-833-2
    • 245-844-2
1 of 3
Name CAS Botanical Proportion
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Dragonhead Dracocephalum moldavica L., fam. Lamiaceae (Labiatae) 0.1%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Turkey) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Savory, summer (Italy) 1b oil 8016-68-0 Satureja hortensis L., fam. Lamiaceae (Labiatae) 1.2%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.02%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.03%
Osmanthus headspace (living flowers) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.1%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Morocco) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.17%
Basil (Turkey) 2a 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.17%
Basil (Turkey) 2b 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.08%
Viburnum orientale leaf Viburnum orientale Pallas, fam. Caprifoliaceae 0.05%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.16%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 1.0%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.07%
Sideritis amasiaca (Turkey) Sideritis amasiaca Bornm., fam. Lamiaceae (Labiatae) 0.46%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.1%
Artemisia umbelliformis (Italy) Artemisia umbelliformis Lam., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 1 Artemisia campestris L. ssp. borealis (Pallas), H.M. Hall et Clements 0.01%
Artemisia genipi (Italy) Artemisia genipi Weber, fam. Asteraceae (Compositae) 0.01%
Artemisia petrosa (Italy) Artemisia petrosa Baumg. ssp. eriantha Ten., fam. Asteraceae (Compositae) 0.01%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.01%
Wormwood (Mugwort) (Italy) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.01%
Artemisia chamaemelifolia (Italy) Artemisia chamaemelifolia Vill., fam. Asteraceae (Compositae) 0.01%
Artemisia glacialis (Italy) Artemisia glacialis L., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 2 Artemisia campestris L. ssp. campestris, fam. Asteraceae (Compositae) 0.01%
Artemisia alba (Italy) 84775-75-7 Artemisia alba Turra, fam. Asteraceae (Compositae) 0.1%
Artemisia abrotanum (Italy) Artemisia abrotanum L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (Italy) Artemisia annua L., fam. Asteraceae (Compositae) 0.1%
Artemisia verlotiorum (Italy) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Armoise (Italy) 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.01%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.1%
Basil (Denmark) Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.3%
Inula viscosa (Turkey) Inula viscosa (L.) Aiton (Dittrichia viscosa (L.) Greuter), fam.Asteraceae 0.15%
Clary sage (Spain) 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.27%
Rose (Bulgaria) 3b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Pennyroyal (Cuba) 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.39%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.3%
Rose (Turkey) 7 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.07%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%
Caraway herb (Mongolia) 8000-42-8 Carum carvi L., fam. Apiaceae (Umbelliferae) 0.2%
Amorpha fruticosa flower Amorpha fruticosa L., fam. Papilionaceae 0.05%
Amorpha fruticosa leaf Amorpha fruticosa L., fam. Papilionaceae 0.05%