Dihydro-alpha-ionone

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  • Identifiers

    CAS number
    31499-72-6

    Molecular formula
    C13H22O

    SMILES
    CC1=CCCC(C1CCC(=O)C)(C)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1830.0

  • Odor profile

    Woody 87.03%
    Floral 83.36%
    Fruity 66.15%
    Violet 62.85%
    Orris 62.01%
    Sweet 56.77%
    Berry 54.66%
    Powdery 54.05%
    Dry 46.67%
    Tobacco 46.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.07 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    106.53 ˚C

    Solubility expt.

    • 1 ml in 1 ml 80% alcohol (in ethanol)

  • Synonyms

    • Dihydro-alpha-ionone
    • 31499-72-6
    • 4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
    • FEMA No. 3628
    • DIHYDO-ALPHA-IONONE
    • EINECS 250-657-4
    • Dihydro-.alpha.-ionone
    • 2-BUTANONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butanone
    • .alpha.-7,8-Dihydroionone
    • UNII-20P9Z50AR5
    • .alpha.-Dihydroionone
    • 4-(2,2,6-Trimethyl-5-cyclohexen-1-yl)-2-butanone
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)butan-2-one
    • AI3-32481
    • 20P9Z50AR5
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl-2-butanone
    • DTXSID40865599
    • 2',2''-Dihydro-.alpha.-ionone
    • DIHYDRO-.ALPHA.-IONONE [FHFI]
    • (+/-)-DIHYDRO-.ALPHA.-IONONE
    • DIHYDRO-.ALPHA.-IONONE, (+/-)-
    • 7,8-Dihydro-alpha-ionone
    • alpha-Dihydroionone
    • alpha-dihydro-ionone
    • 4-((1R)-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-one
    • 4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-one
    • (+/-)-dihydro-alpha-ionone
    • 7,8-Dihydro- alpha -ionone
    • SCHEMBL441627
    • 2',2''-Dihydro-alpha-ionone
    • ALPHA-7,8-DIHYDROIONONE
    • CHEMBL4460864
    • DTXCID80813993
    • CHEBI:191058
    • DIHYDRO-ALPHA-IONONE, (+/-)-
    • NS00012240
    • 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-butan-2-one
    • Q27253476
    • 7,8-Dihydro-alpha-ionone, technical, >=90% (sum of isomers, GC)

  • Applications

    Dihydro-alpha-ionone (CAS 31499-72-6) is a versatile aroma ingredient with soft violet, light fruity and gentle woody facets, used to build and smooth fragrance structures in fine fragrances, body mists and personal care (shampoos, shower gels, lotions, creams and deodorants, color cosmetics), in home and fabric care (detergents, softeners, dishwashing liquids, bar soaps) thanks to good stability in surfactant and mildly alkaline bases, and in air care (candles, reed diffusers, room sprays) to provide a pleasant floral–woody backbone with added lift and longevity; it is commonly employed as a blender/modifier bridging violet–orris–tea–plum accords to deliver powdery cleanliness and rounded character, shows broad compatibility with typical fragrance solvents, and can serve as a convenient building block for modern tonalities; in some markets it may also be used at very low levels as a flavoring adjunct for berry/violet nuances subject to applicable regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1186.57
    methanol 1316.44
    isopropanol 865.07
    water 1.25
    ethyl acetate 1155.78
    n-propanol 907.21
    acetone 1170.39
    n-butanol 887.1
    acetonitrile 1022.85
    DMF 1034.54
    toluene 803.23
    isobutanol 569.78
    1,4-dioxane 2566.77
    methyl acetate 875.47
    THF 2849.29
    2-butanone 919.82
    n-pentanol 389.02
    sec-butanol 576.02
    n-hexane 122.48
    ethylene glycol 97.99
    NMP 910.79
    cyclohexane 314.59
    DMSO 558.94
    n-butyl acetate 915.8
    n-octanol 292.26
    chloroform 2276.93
    n-propyl acetate 486.13
    acetic acid 534.92
    dichloromethane 1884.18
    cyclohexanone 1322.85
    propylene glycol 188.4
    isopropyl acetate 694.8
    DMAc 710.41
    2-ethoxyethanol 447.67
    isopentanol 655.48
    n-heptane 116.99
    ethyl formate 592.06
    1,2-dichloroethane 997.85
    n-hexanol 860.41
    2-methoxyethanol 1037.81
    isobutyl acetate 341.46
    tetrachloromethane 361.44
    n-pentyl acetate 423.17
    transcutol 2902.33
    n-heptanol 293.91
    ethylbenzene 300.21
    MIBK 483.95
    2-propoxyethanol 1124.36
    tert-butanol 851.5
    MTBE 940.46
    2-butoxyethanol 495.62
    propionic acid 470.0
    o-xylene 366.56
    formic acid 171.04
    diethyl ether 1331.47
    m-xylene 487.61
    p-xylene 349.95
    chlorobenzene 818.42
    dimethyl carbonate 271.32
    n-octane 33.87
    formamide 293.66
    cyclopentanone 1337.81
    2-pentanone 883.91
    anisole 586.11
    cyclopentyl methyl ether 1179.86
    gamma-butyrolactone 1385.13
    1-methoxy-2-propanol 791.86
    pyridine 1237.25
    3-pentanone 599.34
    furfural 1044.59
    n-dodecane 25.45
    diethylene glycol 544.35
    diisopropyl ether 347.39
    tert-amyl alcohol 538.36
    acetylacetone 796.85
    n-hexadecane 29.93
    acetophenone 415.65
    methyl propionate 726.28
    isopentyl acetate 769.54
    trichloroethylene 1808.18
    n-nonanol 253.19
    cyclohexanol 737.7
    benzyl alcohol 368.94
    2-ethylhexanol 426.93
    isooctanol 218.01
    dipropyl ether 653.23
    1,2-dichlorobenzene 646.62
    ethyl lactate 181.53
    propylene carbonate 776.92
    n-methylformamide 562.3
    2-pentanol 487.83
    n-pentane 142.99
    1-propoxy-2-propanol 781.03
    1-methoxy-2-propyl acetate 893.05
    2-(2-methoxypropoxy) propanol 506.95
    mesitylene 295.17
    ε-caprolactone 1120.71
    p-cymene 228.74
    epichlorohydrin 1595.38
    1,1,1-trichloroethane 1049.29
    2-aminoethanol 302.75
    morpholine-4-carbaldehyde 1248.6
    sulfolane 924.06
    2,2,4-trimethylpentane 59.12
    2-methyltetrahydrofuran 1973.22
    n-hexyl acetate 661.55
    isooctane 56.02
    2-(2-butoxyethoxy)ethanol 759.59
    sec-butyl acetate 359.84
    tert-butyl acetate 668.86
    decalin 100.99
    glycerin 217.52
    diglyme 1294.67
    acrylic acid 331.82
    isopropyl myristate 231.3
    n-butyric acid 828.35
    acetyl acetate 628.59
    di(2-ethylhexyl) phthalate 226.2
    ethyl propionate 430.43
    nitromethane 932.03
    1,2-diethoxyethane 1048.94
    benzonitrile 650.36
    trioctyl phosphate 159.31
    1-bromopropane 785.33
    gamma-valerolactone 1713.63
    n-decanol 175.53
    triethyl phosphate 213.75
    4-methyl-2-pentanol 287.14
    propionitrile 854.46
    vinylene carbonate 747.84
    1,1,2-trichlorotrifluoroethane 705.03
    DMS 465.08
    cumene 197.31
    2-octanol 186.95
    2-hexanone 463.85
    octyl acetate 295.41
    limonene 352.6
    1,2-dimethoxyethane 993.23
    ethyl orthosilicate 221.76
    tributyl phosphate 208.51
    diacetone alcohol 550.2
    N,N-dimethylaniline 328.82
    acrylonitrile 751.23
    aniline 740.75
    1,3-propanediol 500.78
    bromobenzene 900.21
    dibromomethane 1265.35
    1,1,2,2-tetrachloroethane 1324.78
    2-methyl-cyclohexyl acetate 421.2
    tetrabutyl urea 233.53
    diisobutyl methanol 229.93
    2-phenylethanol 534.4
    styrene 366.12
    dioctyl adipate 327.92
    dimethyl sulfate 290.9
    ethyl butyrate 560.91
    methyl lactate 249.53
    butyl lactate 300.52
    diethyl carbonate 348.62
    propanediol butyl ether 429.4
    triethyl orthoformate 381.91
    p-tert-butyltoluene 233.52
    methyl 4-tert-butylbenzoate 406.15
    morpholine 2605.62
    tert-butylamine 656.05
    n-dodecanol 126.15
    dimethoxymethane 987.49
    ethylene carbonate 658.15
    cyrene 343.23
    2-ethoxyethyl acetate 611.38
    2-ethylhexyl acetate 627.24
    1,2,4-trichlorobenzene 747.53
    4-methylpyridine 1348.87
    dibutyl ether 445.13
    2,6-dimethyl-4-heptanol 229.93
    DEF 763.2
    dimethyl isosorbide 899.76
    tetrachloroethylene 834.59
    eugenol 351.81
    triacetin 524.04
    span 80 452.8
    1,4-butanediol 124.25
    1,1-dichloroethane 1120.36
    2-methyl-1-pentanol 334.92
    methyl formate 405.18
    2-methyl-1-butanol 549.64
    n-decane 48.14
    butyronitrile 985.07
    3,7-dimethyl-1-octanol 304.98
    1-chlorooctane 208.26
    1-chlorotetradecane 77.15
    n-nonane 48.11
    undecane 33.7
    tert-butylcyclohexane 90.87
    cyclooctane 99.57
    cyclopentanol 633.8
    tetrahydropyran 2362.53
    tert-amyl methyl ether 550.55
    2,5,8-trioxanonane 826.1
    1-hexene 350.24
    2-isopropoxyethanol 334.21
    2,2,2-trifluoroethanol 163.22
    methyl butyrate 512.98

    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

Botanical

Name CAS Botanical Proportion
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.2%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.04%
Michelia alba leaf (Japan) Michelia alba DC., fam. Magnoliaceae 0.9%