Dihydrodehydro-beta-ionone

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  • Identifiers

    CAS number
    20483-36-7

    Molecular formula
    C13H20O

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

  • Odor profile

    Fragrance
    Floral 88.12%
    Woody 79.48%
    Fruity 61.11%
    Violet 58.25%
    Orris 56.56%
    Sweet 54.47%
    Powdery 51.9%
    Berry 51.61%
    Raspberry 46.68%
    Rose 46.63%

     

    Flavor
    Floral 65.28%
    Woody 64.48%
    Orris 39.67%
    Fruity 34.66%
    Wood 31.02%
    Dry 29.84%
    Powdery 28.93%
    Sweet 28.22%
    Herbal 27.49%
    Spicy 27.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.84 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 126.00 to 128.00 °C. @ 12.00 mm Hg

    Flash point

    • 113.85 ˚C est.

    Solubility expt.

    • soluble in alcohol and most fixed oils; insoluble in water

  • Synonyms

    • 20483-36-7
    • Dehydrodihydroionone
    • 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone
    • Dihydrodehydro-beta-ionone
    • 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
    • FEMA No. 3447
    • 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
    • XZS4VD987O
    • 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)butan-2-one
    • UNII-XZS4VD987O
    • EINECS 243-847-3
    • Dihydrodehydro-.beta.-ionone
    • FEMA 3447
    • 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one
    • 7,8-Dihydro-3,4-dehydro-.beta.-ionone
    • DTXSID0066618
    • CHEBI:88549
    • DEHYDRODIHYDROIONONE [FHFI]
    • 4-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-butanone
    • 7,8-dihydro-3,4-dehydro-beta-ionone
    • 3,4-didehydro-7,8-dihydro-beta-ionone
    • 4-(2,6,6-trimethyl cyclohexa-1,3-dienyl) butane-2-one
    • Dehydrodihydro-beta-ionone
    • DTXCID4036306
    • SCHEMBL10460910
    • 7,8-Dihydro-3,4-dehydro-b-ionone
    • DB-304895
    • NS00013261
    • Q27160440
    • 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanon
    • 4-(2,6,6-Trimethyl -1,3-cyclohexadien-1-yl )butan-2-one

  • Applications

    Dihydrodehydro-beta-ionone is primarily used as a fragrance ingredient and aroma compound, contributing violet- or floral-like notes in perfumes, personal care products, and scented household formulations. It also serves as a chemical intermediate in the synthesis of other ionone-related fragrance materials and aroma chemicals, providing a versatile building block for fragrance design. In cosmetics and personal care, it is employed as a constituent fragrance ingredient in creams, lotions, and shampoos where a nuanced violet note is desirable. In flavor applications, it may be evaluated or used under appropriate regulatory approvals as part of aroma profiles or flavor formulations. The compound is typically handled within fragrance manufacturing and flavor formulation streams, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.34
    methanol 528.72
    isopropanol 261.19
    water 1.04
    ethyl acetate 452.23
    n-propanol 315.62
    acetone 422.58
    n-butanol 300.4
    acetonitrile 379.24
    DMF 559.0
    toluene 382.72
    isobutanol 192.68
    1,4-dioxane 1154.57
    methyl acetate 389.51
    THF 1266.57
    2-butanone 375.3
    n-pentanol 161.66
    sec-butanol 208.68
    n-hexane 58.56
    ethylene glycol 47.28
    NMP 580.61
    cyclohexane 134.45
    DMSO 258.01
    n-butyl acetate 352.39
    n-octanol 150.65
    chloroform 1045.22
    n-propyl acetate 217.34
    acetic acid 226.66
    dichloromethane 904.87
    cyclohexanone 592.08
    propylene glycol 82.38
    isopropyl acetate 252.76
    DMAc 427.45
    2-ethoxyethanol 210.15
    isopentanol 223.9
    n-heptane 57.83
    ethyl formate 247.92
    1,2-dichloroethane 445.87
    n-hexanol 331.39
    2-methoxyethanol 440.5
    isobutyl acetate 156.26
    tetrachloromethane 160.57
    n-pentyl acetate 196.82
    transcutol 1351.65
    n-heptanol 134.86
    ethylbenzene 162.67
    MIBK 186.15
    2-propoxyethanol 485.12
    tert-butanol 289.48
    MTBE 324.13
    2-butoxyethanol 234.64
    propionic acid 197.4
    o-xylene 191.94
    formic acid 89.77
    diethyl ether 502.71
    m-xylene 236.27
    p-xylene 189.32
    chlorobenzene 374.97
    dimethyl carbonate 143.43
    n-octane 19.42
    formamide 155.99
    cyclopentanone 661.74
    2-pentanone 327.65
    anisole 338.54
    cyclopentyl methyl ether 514.6
    gamma-butyrolactone 681.81
    1-methoxy-2-propanol 330.64
    pyridine 560.28
    3-pentanone 272.12
    furfural 533.84
    n-dodecane 15.8
    diethylene glycol 264.99
    diisopropyl ether 128.84
    tert-amyl alcohol 213.75
    acetylacetone 332.63
    n-hexadecane 18.38
    acetophenone 245.23
    methyl propionate 339.27
    isopentyl acetate 298.98
    trichloroethylene 822.63
    n-nonanol 135.45
    cyclohexanol 287.28
    benzyl alcohol 197.98
    2-ethylhexanol 186.86
    isooctanol 102.79
    dipropyl ether 288.59
    1,2-dichlorobenzene 320.38
    ethyl lactate 95.29
    propylene carbonate 380.51
    n-methylformamide 250.17
    2-pentanol 172.88
    n-pentane 60.59
    1-propoxy-2-propanol 316.51
    1-methoxy-2-propyl acetate 379.6
    2-(2-methoxypropoxy) propanol 264.11
    mesitylene 139.45
    ε-caprolactone 522.95
    p-cymene 118.71
    epichlorohydrin 739.23
    1,1,1-trichloroethane 449.03
    2-aminoethanol 134.86
    morpholine-4-carbaldehyde 696.53
    sulfolane 506.03
    2,2,4-trimethylpentane 27.72
    2-methyltetrahydrofuran 850.51
    n-hexyl acetate 319.57
    isooctane 23.47
    2-(2-butoxyethoxy)ethanol 377.56
    sec-butyl acetate 163.29
    tert-butyl acetate 260.3
    decalin 54.56
    glycerin 103.51
    diglyme 635.11
    acrylic acid 152.98
    isopropyl myristate 123.64
    n-butyric acid 294.47
    acetyl acetate 267.66
    di(2-ethylhexyl) phthalate 127.39
    ethyl propionate 208.14
    nitromethane 404.84
    1,2-diethoxyethane 473.05
    benzonitrile 298.77
    trioctyl phosphate 86.7
    1-bromopropane 344.1
    gamma-valerolactone 804.21
    n-decanol 98.76
    triethyl phosphate 129.58
    4-methyl-2-pentanol 106.2
    propionitrile 338.11
    vinylene carbonate 382.99
    1,1,2-trichlorotrifluoroethane 329.73
    DMS 250.11
    cumene 108.31
    2-octanol 90.15
    2-hexanone 214.09
    octyl acetate 163.0
    limonene 169.85
    1,2-dimethoxyethane 494.02
    ethyl orthosilicate 131.21
    tributyl phosphate 110.39
    diacetone alcohol 226.62
    N,N-dimethylaniline 204.16
    acrylonitrile 310.2
    aniline 322.75
    1,3-propanediol 197.04
    bromobenzene 409.96
    dibromomethane 576.94
    1,1,2,2-tetrachloroethane 593.51
    2-methyl-cyclohexyl acetate 230.46
    tetrabutyl urea 132.06
    diisobutyl methanol 100.85
    2-phenylethanol 270.22
    styrene 199.51
    dioctyl adipate 177.56
    dimethyl sulfate 165.82
    ethyl butyrate 253.27
    methyl lactate 126.61
    butyl lactate 145.5
    diethyl carbonate 180.48
    propanediol butyl ether 210.16
    triethyl orthoformate 188.83
    p-tert-butyltoluene 117.14
    methyl 4-tert-butylbenzoate 223.67
    morpholine 1129.46
    tert-butylamine 226.5
    n-dodecanol 72.81
    dimethoxymethane 469.38
    ethylene carbonate 317.11
    cyrene 221.52
    2-ethoxyethyl acetate 293.17
    2-ethylhexyl acetate 262.39
    1,2,4-trichlorobenzene 371.23
    4-methylpyridine 609.12
    dibutyl ether 211.94
    2,6-dimethyl-4-heptanol 100.85
    DEF 348.58
    dimethyl isosorbide 529.49
    tetrachloroethylene 386.65
    eugenol 210.72
    triacetin 281.58
    span 80 238.05
    1,4-butanediol 59.76
    1,1-dichloroethane 474.75
    2-methyl-1-pentanol 149.49
    methyl formate 204.95
    2-methyl-1-butanol 199.88
    n-decane 28.74
    butyronitrile 355.93
    3,7-dimethyl-1-octanol 146.51
    1-chlorooctane 116.05
    1-chlorotetradecane 45.89
    n-nonane 27.85
    undecane 20.63
    tert-butylcyclohexane 48.1
    cyclooctane 44.53
    cyclopentanol 269.99
    tetrahydropyran 964.0
    tert-amyl methyl ether 228.89
    2,5,8-trioxanonane 448.89
    1-hexene 158.71
    2-isopropoxyethanol 161.99
    2,2,2-trifluoroethanol 78.18
    methyl butyrate 237.89

    Scent© AI

1 4

IFRA standard 51

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