Dehydrodihydroionol

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  • Identifiers

    CAS number
    57069-86-0

    Molecular formula
    C13H22O

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

  • Odor profile

    Fragrance
    Floral 70.19%
    Woody 65.46%
    Sweet 49.28%
    Powdery 42.22%
    Fruity 40.69%
    Violet 40.24%
    Berry 37.59%
    Green 34.43%
    Tropical 33.84%
    Amber 33.27%

     

    Flavor
    Floral 78.61%
    Woody 75.39%
    Sweet 51.9%
    Herbal 42.15%
    Tropical 37.79%
    Wood 37.14%
    Flower 35.07%
    Citrus 34.44%
    Violet 33.93%
    Amber 32.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.1 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 80.00 °C. @ 1.00 mm Hg

    Flash point

    • 119.66 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Dehydrodihydroionol
    • 57069-86-0
    • FEMA No. 3446
    • VQS2EA7ID5
    • 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol
    • 1,3-Cyclohexadiene-1-propanol, .alpha.,2,6,6-tetramethyl-
    • 7,8-Dehydro-3,4-dihydro-beta-ionol
    • alpha,2,6,6-Tetramethyl-1,3-cyclohexadiene-1-propanol
    • DEHYDRODIHYDROIONOL [FHFI]
    • (+/-)-DEHYDRODIHYDROIONOL
    • DEHYDRODIHYDROIONOL, (+/)-
    • 1,3-Cyclohexadiene-1-propanol, alpha,2,6,6-tetramethyl-
    • 7,8-DIHYDRO-3,4-DEHYDRO-.BETA.-IONOL
    • .ALPHA.,2,6,6-TETRAMETHYL-1,3-CYCLOHEXADIENE-1-PROPANOL
    • 4-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-2-BUTANOL
    • UNII-VQS2EA7ID5
    • Megastigma-3,5-dien-9-ol
    • SCHEMBL1243737
    • FEMA 3446
    • DTXSID60866609
    • CHEBI:192162
    • 1,3-Cyclohexadiene-1-propanol,.alpha.,2,6,6-tetramethyl-
    • 7,8-Dehydro-3,4-dihydro-b-ionol
    • NS00022401
    • 7,8-DIHYDRO-3,4-DEHYDRO-BETA-IONOL
    • Q27291969
    • a,2,6,6-Tetramethyl-1,3-cyclohexadiene-1-propanol, 9CI
    • 611-458-1

  • Applications

    Dehydrodihydroionol (CAS 57069-86-0) is primarily used as an intermediate in fragrance synthesis and as an odorant component in cosmetics and personal care products. It may be evaluated for use as a flavor/aroma ingredient in food-related applications and serves as a building block for the synthesis of other fragrance compounds. In household cleaning products, it can be added to impart or enhance a specific scent. In coatings/inks and in plastics and polymers, it can function as a fragrance additive or intermediate related to fragrances to aid odor release in the finished material. Its use is formulation-dependent and subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 794.9
    methanol 749.07
    isopropanol 515.55
    water 0.68
    ethyl acetate 508.9
    n-propanol 601.93
    acetone 551.06
    n-butanol 577.44
    acetonitrile 405.87
    DMF 529.42
    toluene 302.94
    isobutanol 367.43
    1,4-dioxane 1294.7
    methyl acetate 417.23
    THF 1866.52
    2-butanone 482.33
    n-pentanol 256.89
    sec-butanol 356.9
    n-hexane 72.62
    ethylene glycol 57.48
    NMP 417.83
    cyclohexane 152.87
    DMSO 336.55
    n-butyl acetate 518.26
    n-octanol 218.5
    chloroform 810.63
    n-propyl acetate 242.7
    acetic acid 229.22
    dichloromethane 716.9
    cyclohexanone 611.83
    propylene glycol 121.25
    isopropyl acetate 296.74
    DMAc 344.29
    2-ethoxyethanol 283.12
    isopentanol 384.03
    n-heptane 97.36
    ethyl formate 292.03
    1,2-dichloroethane 388.95
    n-hexanol 601.03
    2-methoxyethanol 630.44
    isobutyl acetate 180.58
    tetrachloromethane 147.2
    n-pentyl acetate 230.65
    transcutol 1300.33
    n-heptanol 229.02
    ethylbenzene 117.52
    MIBK 240.71
    2-propoxyethanol 692.86
    tert-butanol 525.27
    MTBE 503.27
    2-butoxyethanol 331.18
    propionic acid 220.8
    o-xylene 148.13
    formic acid 71.0
    diethyl ether 713.75
    m-xylene 194.98
    p-xylene 151.23
    chlorobenzene 280.43
    dimethyl carbonate 122.86
    n-octane 28.95
    formamide 117.89
    cyclopentanone 727.04
    2-pentanone 459.16
    anisole 253.63
    cyclopentyl methyl ether 615.56
    gamma-butyrolactone 659.21
    1-methoxy-2-propanol 470.21
    pyridine 516.02
    3-pentanone 302.89
    furfural 426.86
    n-dodecane 21.58
    diethylene glycol 308.54
    diisopropyl ether 178.75
    tert-amyl alcohol 336.94
    acetylacetone 334.47
    n-hexadecane 24.9
    acetophenone 182.4
    methyl propionate 345.77
    isopentyl acetate 386.4
    trichloroethylene 617.43
    n-nonanol 184.11
    cyclohexanol 374.27
    benzyl alcohol 170.2
    2-ethylhexanol 298.67
    isooctanol 163.02
    dipropyl ether 447.33
    1,2-dichlorobenzene 213.74
    ethyl lactate 97.75
    propylene carbonate 334.45
    n-methylformamide 255.33
    2-pentanol 289.32
    n-pentane 91.94
    1-propoxy-2-propanol 480.44
    1-methoxy-2-propyl acetate 410.13
    2-(2-methoxypropoxy) propanol 277.89
    mesitylene 119.69
    ε-caprolactone 494.89
    p-cymene 122.04
    epichlorohydrin 742.84
    1,1,1-trichloroethane 385.37
    2-aminoethanol 180.47
    morpholine-4-carbaldehyde 584.73
    sulfolane 463.43
    2,2,4-trimethylpentane 38.29
    2-methyltetrahydrofuran 1068.9
    n-hexyl acetate 342.08
    isooctane 35.85
    2-(2-butoxyethoxy)ethanol 426.33
    sec-butyl acetate 165.32
    tert-butyl acetate 305.38
    decalin 49.43
    glycerin 135.34
    diglyme 672.68
    acrylic acid 139.3
    isopropyl myristate 139.39
    n-butyric acid 412.95
    acetyl acetate 234.49
    di(2-ethylhexyl) phthalate 130.22
    ethyl propionate 203.89
    nitromethane 356.12
    1,2-diethoxyethane 553.09
    benzonitrile 244.72
    trioctyl phosphate 107.66
    1-bromopropane 377.36
    gamma-valerolactone 784.3
    n-decanol 133.57
    triethyl phosphate 117.2
    4-methyl-2-pentanol 168.42
    propionitrile 412.07
    vinylene carbonate 307.57
    1,1,2-trichlorotrifluoroethane 291.13
    DMS 204.65
    cumene 87.24
    2-octanol 141.04
    2-hexanone 246.98
    octyl acetate 178.26
    limonene 198.52
    1,2-dimethoxyethane 578.29
    ethyl orthosilicate 127.05
    tributyl phosphate 120.63
    diacetone alcohol 286.91
    N,N-dimethylaniline 156.14
    acrylonitrile 309.95
    aniline 294.9
    1,3-propanediol 318.12
    bromobenzene 289.37
    dibromomethane 506.77
    1,1,2,2-tetrachloroethane 472.06
    2-methyl-cyclohexyl acetate 230.0
    tetrabutyl urea 143.27
    diisobutyl methanol 151.25
    2-phenylethanol 255.82
    styrene 140.92
    dioctyl adipate 173.83
    dimethyl sulfate 128.19
    ethyl butyrate 294.86
    methyl lactate 125.81
    butyl lactate 174.57
    diethyl carbonate 170.58
    propanediol butyl ether 273.19
    triethyl orthoformate 205.25
    p-tert-butyltoluene 131.5
    methyl 4-tert-butylbenzoate 208.02
    morpholine 1345.85
    tert-butylamine 394.59
    n-dodecanol 102.58
    dimethoxymethane 576.15
    ethylene carbonate 274.76
    cyrene 203.53
    2-ethoxyethyl acetate 307.91
    2-ethylhexyl acetate 317.45
    1,2,4-trichlorobenzene 248.19
    4-methylpyridine 511.3
    dibutyl ether 275.15
    2,6-dimethyl-4-heptanol 151.25
    DEF 372.82
    dimethyl isosorbide 468.31
    tetrachloroethylene 307.71
    eugenol 189.17
    triacetin 243.71
    span 80 274.31
    1,4-butanediol 81.17
    1,1-dichloroethane 423.43
    2-methyl-1-pentanol 209.56
    methyl formate 194.72
    2-methyl-1-butanol 328.32
    n-decane 41.77
    butyronitrile 499.66
    3,7-dimethyl-1-octanol 193.09
    1-chlorooctane 136.89
    1-chlorotetradecane 55.85
    n-nonane 41.36
    undecane 28.95
    tert-butylcyclohexane 50.79
    cyclooctane 52.16
    cyclopentanol 368.24
    tetrahydropyran 1330.54
    tert-amyl methyl ether 297.7
    2,5,8-trioxanonane 428.01
    1-hexene 204.72
    2-isopropoxyethanol 209.95
    2,2,2-trifluoroethanol 62.95
    methyl butyrate 257.0

    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