beta-Damascenone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    23726-93-4

    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: 1381.75
    • Carbowax: 1813.0

  • 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

  • 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
Tessaria absinthioides (Argentina) Tessaria absinthioides (Hook et Arn.) D. Candole, fam. Asteraceae (Comp.) 7.5%
Teucrium heterophyllum (Canary Islands) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 0.4%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.06%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Orthodon dianthera (Vietnam) Orthodon dianthera Maxim. (Mosla dianthera Maxim.), fam. Lamiaceae 0.05%
Seafennel (Greece) 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.1%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 2.1%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.2%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.4%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.4%
Rose (Turkey) 8 8007-01-0 Rosa damascena Miller, fam. Rosaceae 0.03%