beta-Damascenone

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  • Identifiers

    CAS number
    23696-85-7

    Molecular formula
    C13H18O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1389.0
    • Carbowax: 1820.57

  • Odor profile

    Fruity 87.73%
    Floral 82.94%
    Woody 73.44%
    Rose 69.43%
    Sweet 64.92%
    Green 60.84%
    Apple 54.76%
    Tobacco 54.29%
    Berry 53.07%
    Plum 49.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 274.00 to 276.00 °C. @ 760.00 mm Hg

    Flash point est.
    124.9 ˚C

    Solubility expt.

    • 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

  • Applications

    Damascenone (CAS 23696-85-7) is an ionone-family aroma compound celebrated for its sweet blend of rose, red apple, honey and dried-fruit nuances; it is chiefly employed to enrich and deepen fine fragrances, to modulate flavor profiles in foods—especially alcoholic beverages, teas, confectionery and soft drinks—and as a sensory marker in oenological research for monitoring wine aging; trace levels of Damascenone are also incorporated into personal-care cosmetics to impart a “natural floral” impression, while in essential-oil technology it serves as an indicator of rose-oil authenticity and helps formulators achieve a balanced bouquet with minimal dosage, thereby lowering costs yet preserving the signature character and long-lasting stability of the scent.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 670.25
    methanol 795.51
    isopropanol 580.41
    water 0.78
    ethyl acetate 495.17
    n-propanol 594.39
    acetone 598.15
    n-butanol 634.64
    acetonitrile 783.94
    DMF 899.66
    toluene 713.64
    isobutanol 474.47
    1,4-dioxane 1248.95
    methyl acetate 477.86
    THF 1923.61
    2-butanone 543.89
    n-pentanol 421.2
    sec-butanol 511.17
    n-hexane 263.98
    ethylene glycol 69.41
    NMP 833.12
    cyclohexane 518.7
    DMSO 326.59
    n-butyl acetate 488.67
    n-octanol 322.78
    chloroform 2090.89
    n-propyl acetate 294.7
    acetic acid 329.25
    dichloromethane 1527.02
    cyclohexanone 1127.86
    propylene glycol 115.24
    isopropyl acetate 296.38
    DMAc 437.87
    2-ethoxyethanol 254.9
    isopentanol 449.21
    n-heptane 194.54
    ethyl formate 397.95
    1,2-dichloroethane 811.82
    n-hexanol 725.26
    2-methoxyethanol 475.21
    isobutyl acetate 214.57
    tetrachloromethane 379.74
    n-pentyl acetate 292.84
    transcutol 510.26
    n-heptanol 297.29
    ethylbenzene 317.89
    MIBK 339.24
    2-propoxyethanol 558.56
    tert-butanol 513.19
    MTBE 469.97
    2-butoxyethanol 267.7
    propionic acid 325.73
    o-xylene 314.67
    formic acid 103.39
    diethyl ether 735.69
    m-xylene 462.85
    p-xylene 365.92
    chlorobenzene 695.47
    dimethyl carbonate 193.93
    n-octane 79.93
    formamide 147.01
    cyclopentanone 1112.61
    2-pentanone 554.35
    anisole 382.33
    cyclopentyl methyl ether 901.12
    gamma-butyrolactone 1036.26
    1-methoxy-2-propanol 417.87
    pyridine 996.23
    3-pentanone 399.45
    furfural 624.78
    n-dodecane 56.62
    diethylene glycol 273.71
    diisopropyl ether 212.94
    tert-amyl alcohol 408.31
    acetylacetone 378.86
    n-hexadecane 65.21
    acetophenone 298.18
    methyl propionate 396.14
    isopentyl acetate 405.34
    trichloroethylene 1401.82
    n-nonanol 256.68
    cyclohexanol 748.25
    benzyl alcohol 320.29
    2-ethylhexanol 371.8
    isooctanol 228.22
    dipropyl ether 403.33
    1,2-dichlorobenzene 487.45
    ethyl lactate 143.35
    propylene carbonate 589.1
    n-methylformamide 428.0
    2-pentanol 432.76
    n-pentane 264.17
    1-propoxy-2-propanol 398.23
    1-methoxy-2-propyl acetate 341.06
    2-(2-methoxypropoxy) propanol 223.94
    mesitylene 279.19
    ε-caprolactone 747.55
    p-cymene 209.11
    epichlorohydrin 1000.59
    1,1,1-trichloroethane 870.13
    2-aminoethanol 183.17
    morpholine-4-carbaldehyde 611.93
    sulfolane 767.58
    2,2,4-trimethylpentane 80.08
    2-methyltetrahydrofuran 1217.91
    n-hexyl acetate 465.59
    isooctane 77.49
    2-(2-butoxyethoxy)ethanol 305.03
    sec-butyl acetate 208.65
    tert-butyl acetate 308.19
    decalin 146.78
    glycerin 120.43
    diglyme 451.29
    acrylic acid 257.8
    isopropyl myristate 179.12
    n-butyric acid 536.58
    acetyl acetate 274.81
    di(2-ethylhexyl) phthalate 157.09
    ethyl propionate 278.76
    nitromethane 473.05
    1,2-diethoxyethane 330.22
    benzonitrile 504.87
    trioctyl phosphate 129.48
    1-bromopropane 801.1
    gamma-valerolactone 976.67
    n-decanol 184.97
    triethyl phosphate 144.19
    4-methyl-2-pentanol 229.55
    propionitrile 698.47
    vinylene carbonate 535.57
    1,1,2-trichlorotrifluoroethane 419.58
    DMS 271.28
    cumene 208.66
    2-octanol 237.89
    2-hexanone 354.89
    octyl acetate 227.13
    limonene 302.26
    1,2-dimethoxyethane 535.11
    ethyl orthosilicate 145.59
    tributyl phosphate 145.5
    diacetone alcohol 304.33
    N,N-dimethylaniline 263.58
    acrylonitrile 653.03
    aniline 516.18
    1,3-propanediol 276.11
    bromobenzene 759.44
    dibromomethane 1239.2
    1,1,2,2-tetrachloroethane 1003.0
    2-methyl-cyclohexyl acetate 264.99
    tetrabutyl urea 192.06
    diisobutyl methanol 174.8
    2-phenylethanol 389.84
    styrene 358.04
    dioctyl adipate 212.73
    dimethyl sulfate 218.79
    ethyl butyrate 298.43
    methyl lactate 160.67
    butyl lactate 210.55
    diethyl carbonate 207.24
    propanediol butyl ether 252.96
    triethyl orthoformate 205.73
    p-tert-butyltoluene 207.14
    methyl 4-tert-butylbenzoate 269.98
    morpholine 1344.44
    tert-butylamine 420.35
    n-dodecanol 137.83
    dimethoxymethane 607.9
    ethylene carbonate 473.11
    cyrene 237.79
    2-ethoxyethyl acetate 281.39
    2-ethylhexyl acetate 346.14
    1,2,4-trichlorobenzene 500.13
    4-methylpyridine 990.91
    dibutyl ether 303.33
    2,6-dimethyl-4-heptanol 174.8
    DEF 489.47
    dimethyl isosorbide 410.64
    tetrachloroethylene 667.67
    eugenol 251.04
    triacetin 248.86
    span 80 242.44
    1,4-butanediol 125.47
    1,1-dichloroethane 989.56
    2-methyl-1-pentanol 338.93
    methyl formate 362.02
    2-methyl-1-butanol 471.24
    n-decane 97.94
    butyronitrile 812.05
    3,7-dimethyl-1-octanol 249.08
    1-chlorooctane 274.29
    1-chlorotetradecane 108.52
    n-nonane 107.7
    undecane 73.22
    tert-butylcyclohexane 117.58
    cyclooctane 171.16
    cyclopentanol 697.66
    tetrahydropyran 1641.17
    tert-amyl methyl ether 346.99
    2,5,8-trioxanonane 312.02
    1-hexene 528.9
    2-isopropoxyethanol 204.26
    2,2,2-trifluoroethanol 114.72
    methyl butyrate 362.75

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.088 %
Category 2
Products applied to the axillae
 0.0023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.088 %
Category 3
Products applied to the face/body using fingertips
 0.046 % Category 8
Products with significant anogenital exposure
 0.0045 %
Category 4
Products related to fine fragrance
 0.043 % Category 9
Products with body and hand exposure, primarily rinse off
 0.084 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.011 % Category 10A
Household care products with mostly hand contact
 0.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.011 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.011 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.17 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.011 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.17 %
Category 6
Products with oral and lip exposure
 0.025 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

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%