(E)-beta-Damascone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    23726-91-2

    Molecular formula
    C13H20O

    SMILES
    C/C=C/C(=O)C1=C(CCCC1(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1410.5

  • Odor profile

    Fruity 91.54%
    Floral 84.61%
    Woody 72.63%
    Rose 71.79%
    Sweet 61.4%
    Berry 58.74%
    Tobacco 58.24%
    Apple 56.08%
    Plum 52.65%
    Raspberry 51.3%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 200.00 °C. @ 760.00 mm Hg

    Flash point est.
    118.11 ˚C

  • Synonyms

    • 23726-91-2
    • 245-842-1
    • E-beta-damascone
    • damascone
    • (E)-beta-Damascone
    • (E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
    • 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • DTXSID7051890
    • (E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
    • I75J0X33Q6
    • MFCD00661756
    • (2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one
    • Rose dihydroketone
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
    • 4-(2.6.6-TRIMETHYL CYCLOHEX-1-ENYL)-BUT-2-EN-4-ONE
    • Damasione
    • FEMA 3243
    • trans-beta-Damascone
    • beta-Damascone, (E)-
    • EINECS 245-842-1
    • BRN 2046078
    • UNII-J131X1Y3RE
    • UNII-I75J0X33Q6
    • .beta.-Damascone
    • damascone (e-beta-)
    • (E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one
    • (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
    • |A-Damascone (Standard)
    • EC 245-842-1
    • SCHEMBL128464
    • (E)-.BETA.-DAMASCONE
    • TRANS-.BETA.-DAMASCONE
    • J131X1Y3RE
    • CHEMBL4565078
    • DTXCID50210415
    • .BETA.-DAMASCONE, TRANS-
    • CHEBI:192137
    • .BETA.-DAMASCONE, (E)-
    • HY-N10013R
    • FEMA NO. 3243, E-
    • Tox21_304045
    • 2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-
    • HY-N10013
    • STL570067
    • AKOS006228373
    • beta-Damascone, >=95%, sum of isomers
    • NCGC00357252-01
    • DA-62648
    • beta-Damascone, technical, >=90% (GC)
    • CAS-23726-91-2
    • 2,6,6-Trimethyl-1-crotonoyl-1-cyclohexene
    • CS-0253684
    • NS00093616
    • G12617
    • trans-2,6,6-trimethyl-1-crotonoyl-1-cyclohexene
    • Q1051071
    • TRANS-2,6,6-TRIMETHYL-1-CROTONYLCYCLOHEX-1-ENE
    • (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-but-2-en-1-one
    • (E)-1-(2,6,6-trimethylcyclohex-1-enyl)but-2-en-1-one
    • 3-Buten-1-one, 4-[2,6,6-trimethyl-1(or 2)-cyclohexen-1-yl]-

  • Applications

    Found naturally in rose petals, black tea, ripe apples and certain tobacco leaves, (E)-β-Damascone (CAS 23726-91-2) is an exceptionally potent aroma molecule with an extremely low odor threshold that exudes juicy, rosy, slightly honeyed fruit notes; perfumers regard it as a key ingredient for adding depth, realism and sparkle to floral, fruity, chypre and gourmand accords, where only a few ppm can illuminate an entire formula or recreate the beating heart of a rose; in personal-care products, soaps, detergents, scented candles, air fresheners and tobacco flavors it masks harsh bases and imparts a fresh, sophisticated aura; FEMA-approved for flavor use, it enriches confectionery, beverages, ready-to-drink teas, baked goods and wines with elegant apple, berry and floral nuances; its versatility, good stability, biodegradability and favorable safety profile under IFRA guidelines make (E)-β-Damascone a valued tool across fine fragrance, flavor, cosmetic and household-care applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1227.15
    methanol 1516.12
    isopropanol 1122.14
    water 0.87
    ethyl acetate 728.77
    n-propanol 1072.97
    acetone 946.59
    n-butanol 1103.41
    acetonitrile 1368.47
    DMF 1232.14
    toluene 1030.59
    isobutanol 859.69
    1,4-dioxane 1934.6
    methyl acetate 718.11
    THF 2900.52
    2-butanone 846.84
    n-pentanol 687.31
    sec-butanol 893.07
    n-hexane 381.97
    ethylene glycol 101.48
    NMP 1057.45
    cyclohexane 791.02
    DMSO 432.68
    n-butyl acetate 788.52
    n-octanol 460.02
    chloroform 3278.24
    n-propyl acetate 415.82
    acetic acid 528.66
    dichloromethane 2261.22
    cyclohexanone 1740.63
    propylene glycol 175.38
    isopropyl acetate 438.66
    DMAc 543.89
    2-ethoxyethanol 378.21
    isopentanol 799.14
    n-heptane 265.56
    ethyl formate 614.88
    1,2-dichloroethane 1259.03
    n-hexanol 1191.86
    2-methoxyethanol 760.74
    isobutyl acetate 303.73
    tetrachloromethane 592.14
    n-pentyl acetate 448.33
    transcutol 835.96
    n-heptanol 431.88
    ethylbenzene 419.86
    MIBK 484.01
    2-propoxyethanol 880.38
    tert-butanol 924.14
    MTBE 825.17
    2-butoxyethanol 398.35
    propionic acid 506.26
    o-xylene 436.98
    formic acid 159.33
    diethyl ether 1211.68
    m-xylene 635.95
    p-xylene 506.94
    chlorobenzene 1054.96
    dimethyl carbonate 228.89
    n-octane 101.98
    formamide 219.99
    cyclopentanone 1605.68
    2-pentanone 793.37
    anisole 501.93
    cyclopentyl methyl ether 1263.39
    gamma-butyrolactone 1483.95
    1-methoxy-2-propanol 635.05
    pyridine 1597.09
    3-pentanone 558.21
    furfural 892.26
    n-dodecane 69.84
    diethylene glycol 391.85
    diisopropyl ether 318.62
    tert-amyl alcohol 673.68
    acetylacetone 520.92
    n-hexadecane 81.24
    acetophenone 386.71
    methyl propionate 534.51
    isopentyl acetate 661.58
    trichloroethylene 2131.88
    n-nonanol 362.08
    cyclohexanol 1213.05
    benzyl alcohol 440.5
    2-ethylhexanol 576.49
    isooctanol 332.98
    dipropyl ether 589.2
    1,2-dichlorobenzene 686.73
    ethyl lactate 178.53
    propylene carbonate 832.79
    n-methylformamide 636.89
    2-pentanol 724.6
    n-pentane 390.37
    1-propoxy-2-propanol 615.56
    1-methoxy-2-propyl acetate 494.06
    2-(2-methoxypropoxy) propanol 305.8
    mesitylene 374.9
    ε-caprolactone 1153.54
    p-cymene 280.46
    epichlorohydrin 1483.57
    1,1,1-trichloroethane 1352.94
    2-aminoethanol 291.79
    morpholine-4-carbaldehyde 849.28
    sulfolane 983.48
    2,2,4-trimethylpentane 113.13
    2-methyltetrahydrofuran 1905.69
    n-hexyl acetate 677.83
    isooctane 107.98
    2-(2-butoxyethoxy)ethanol 425.44
    sec-butyl acetate 283.3
    tert-butyl acetate 439.72
    decalin 191.26
    glycerin 177.8
    diglyme 653.43
    acrylic acid 384.63
    isopropyl myristate 241.98
    n-butyric acid 874.81
    acetyl acetate 371.41
    di(2-ethylhexyl) phthalate 206.85
    ethyl propionate 365.6
    nitromethane 705.55
    1,2-diethoxyethane 532.33
    benzonitrile 781.69
    trioctyl phosphate 170.7
    1-bromopropane 1259.84
    gamma-valerolactone 1469.47
    n-decanol 255.79
    triethyl phosphate 177.88
    4-methyl-2-pentanol 365.93
    propionitrile 1238.93
    vinylene carbonate 749.78
    1,1,2-trichlorotrifluoroethane 596.31
    DMS 351.11
    cumene 266.75
    2-octanol 342.74
    2-hexanone 523.06
    octyl acetate 311.24
    limonene 424.44
    1,2-dimethoxyethane 822.07
    ethyl orthosilicate 186.65
    tributyl phosphate 195.29
    diacetone alcohol 427.63
    N,N-dimethylaniline 323.56
    acrylonitrile 1075.82
    aniline 796.86
    1,3-propanediol 459.48
    bromobenzene 1140.87
    dibromomethane 1831.75
    1,1,2,2-tetrachloroethane 1549.29
    2-methyl-cyclohexyl acetate 357.03
    tetrabutyl urea 255.15
    diisobutyl methanol 252.58
    2-phenylethanol 562.11
    styrene 488.77
    dioctyl adipate 279.33
    dimethyl sulfate 258.42
    ethyl butyrate 418.59
    methyl lactate 204.29
    butyl lactate 298.86
    diethyl carbonate 272.71
    propanediol butyl ether 371.4
    triethyl orthoformate 286.64
    p-tert-butyltoluene 276.77
    methyl 4-tert-butylbenzoate 342.95
    morpholine 2188.89
    tert-butylamine 772.2
    n-dodecanol 187.31
    dimethoxymethane 840.3
    ethylene carbonate 678.04
    cyrene 297.71
    2-ethoxyethyl acetate 407.43
    2-ethylhexyl acetate 535.58
    1,2,4-trichlorobenzene 691.32
    4-methylpyridine 1553.41
    dibutyl ether 461.01
    2,6-dimethyl-4-heptanol 252.58
    DEF 675.94
    dimethyl isosorbide 565.97
    tetrachloroethylene 1032.99
    eugenol 322.96
    triacetin 336.39
    span 80 335.22
    1,4-butanediol 187.23
    1,1-dichloroethane 1586.84
    2-methyl-1-pentanol 534.93
    methyl formate 526.85
    2-methyl-1-butanol 805.87
    n-decane 125.36
    butyronitrile 1432.04
    3,7-dimethyl-1-octanol 365.57
    1-chlorooctane 377.67
    1-chlorotetradecane 137.69
    n-nonane 138.7
    undecane 91.64
    tert-butylcyclohexane 153.67
    cyclooctane 233.53
    cyclopentanol 1115.84
    tetrahydropyran 2702.07
    tert-amyl methyl ether 526.76
    2,5,8-trioxanonane 429.35
    1-hexene 803.73
    2-isopropoxyethanol 293.21
    2,2,2-trifluoroethanol 164.03
    methyl butyrate 489.33

    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
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Turkey) 3 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.56%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.03%
Amorpha fruticosa flower Amorpha fruticosa L., fam. Papilionaceae 0.05%
Amorpha fruticosa leaf Amorpha fruticosa L., fam. Papilionaceae 0.05%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.01%