DIHYDRO-beta-IONONE

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  • Identifiers

    CAS number
    17283-81-7

    Molecular formula
    C13H22O

    SMILES
    CC1=C(C(CCC1)(C)C)CCC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1839.5

  • Odor profile

    Floral 87.39%
    Woody 84.34%
    Fruity 71.79%
    Orris 59.8%
    Violet 57.34%
    Sweet 55.64%
    Berry 55.2%
    Powdery 53.37%
    Raspberry 49.68%
    Tobacco 43.74%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 261.00 to 262.00 °C. @ 760.00 mm Hg

    Flash point est.
    103.52 ˚C

    Solubility expt.

    • 48 mg/L @ 20 °C (exp)

  • Synonyms

    • Dihydro-beta-ionone
    • 17283-81-7
    • 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
    • 7,8-Dihydro-beta-ionone
    • Dihydro-b-ionone
    • FEMA No. 3626
    • 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • 710YK6CESE
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone
    • 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
    • EINECS 241-318-1
    • Dihydro-.beta.-ionone
    • AI3-32482
    • UNII-710YK6CESE
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one
    • DTXSID4047200
    • DTXCID2027200
    • CHEBI:18015
    • 4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
    • DIHYDRO-.BETA.-IONONE [FHFI]
    • .alpha.,.beta.-Dihydro-.beta.-ionone
    • Dihydro-|A-ionone
    • Latia oxyluciferin
    • Dihydro-fA-ionone
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone; 7,8-Dihydro-ss-ionone; Dihydro-ss-ionone; a,ss-Dihydro-ss-ionone; ss-7,8-Dihydroionone; dihydro-ss-Ionone
    • MFCD00456730
    • 5-Megastigmen-9-one
    • DIHYDRO-?-IONONE
    • .beta.-Ionone, dihydro-
    • 7,8-Dehydro-beta-ionone
    • C03527
    • .beta.-7,8-Dihydroionone
    • 7,8-Dihydro-.beta.-ionone
    • SCHEMBL441670
    • alpha,beta-Dihydro-beta-ionone
    • Dihydro-beta-ionone, >=90%
    • CHEMBL3188345
    • Tox21_302666
    • AKOS015903877
    • FS-4346
    • NCGC00256712-01
    • CAS-17283-81-7
    • CS-0153466
    • D5751
    • NS00013271
    • D93119
    • 4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one
    • 4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one
    • 4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one
    • 1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one
    • 4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one
    • Q27102766
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI
    • 2-BUTANONE, 4-(2,6,6- TRIMETHYL-1-CYCLOHEXEN-1-YL)-
    • InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H
    • DihydroBeta-Ionone

  • Applications

    Dihydro-β-ionone (CAS 17283-81-7) is a member of the ionone fragrance family produced by catalytic hydrogenation of natural β-ionone from carotenoids; its characteristic soft violet, ripe-fruity and woody notes make it a key building block in fine perfumery (violet, orris, tobacco, woody accords), a flavour additive for apricot, raspberry, peach, citrus, tea, confectionery and beverage profiles, and a versatile odorant for soaps, detergents, candles, room fresheners and personal-care cosmetics where high thermal and alkaline stability is required; additionally it serves as an intermediate for the synthesis of vitamin A analogues and other aroma chemicals and is FEMA GRAS 3494 at trace levels, so it is widely employed by flavourists, perfumers and olfactory researchers in creating safe, sustainable and sophisticated scent and taste solutions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1501.81
    methanol 1966.06
    isopropanol 973.12
    water 1.66
    ethyl acetate 1409.79
    n-propanol 1112.59
    acetone 1426.06
    n-butanol 1008.52
    acetonitrile 1464.44
    DMF 1287.58
    toluene 896.87
    isobutanol 647.87
    1,4-dioxane 3054.84
    methyl acetate 1085.71
    THF 3270.07
    2-butanone 1075.74
    n-pentanol 447.98
    sec-butanol 646.75
    n-hexane 121.34
    ethylene glycol 126.4
    NMP 1105.63
    cyclohexane 320.86
    DMSO 649.2
    n-butyl acetate 1090.33
    n-octanol 298.87
    chloroform 2864.46
    n-propyl acetate 588.37
    acetic acid 701.56
    dichloromethane 2532.89
    cyclohexanone 1614.98
    propylene glycol 212.55
    isopropyl acetate 795.72
    DMAc 811.83
    2-ethoxyethanol 526.79
    isopentanol 706.18
    n-heptane 121.5
    ethyl formate 797.69
    1,2-dichloroethane 1274.17
    n-hexanol 933.0
    2-methoxyethanol 1261.15
    isobutyl acetate 395.35
    tetrachloromethane 427.92
    n-pentyl acetate 509.59
    transcutol 3017.02
    n-heptanol 318.53
    ethylbenzene 341.78
    MIBK 496.79
    2-propoxyethanol 1273.9
    tert-butanol 934.69
    MTBE 970.41
    2-butoxyethanol 543.22
    propionic acid 615.58
    o-xylene 397.75
    formic acid 254.37
    diethyl ether 1488.49
    m-xylene 496.25
    p-xylene 407.62
    chlorobenzene 951.13
    dimethyl carbonate 293.03
    n-octane 35.94
    formamide 428.95
    cyclopentanone 1605.69
    2-pentanone 958.85
    anisole 690.3
    cyclopentyl methyl ether 1264.71
    gamma-butyrolactone 1752.48
    1-methoxy-2-propanol 857.86
    pyridine 1602.15
    3-pentanone 676.72
    furfural 1302.48
    n-dodecane 25.75
    diethylene glycol 604.76
    diisopropyl ether 347.11
    tert-amyl alcohol 574.97
    acetylacetone 917.13
    n-hexadecane 30.17
    acetophenone 483.11
    methyl propionate 841.85
    isopentyl acetate 882.77
    trichloroethylene 2271.19
    n-nonanol 262.92
    cyclohexanol 839.88
    benzyl alcohol 429.07
    2-ethylhexanol 466.14
    isooctanol 233.19
    dipropyl ether 736.92
    1,2-dichlorobenzene 721.89
    ethyl lactate 193.22
    propylene carbonate 940.8
    n-methylformamide 798.25
    2-pentanol 501.74
    n-pentane 137.88
    1-propoxy-2-propanol 847.91
    1-methoxy-2-propyl acetate 984.66
    2-(2-methoxypropoxy) propanol 511.43
    mesitylene 284.91
    ε-caprolactone 1384.51
    p-cymene 240.22
    epichlorohydrin 1877.9
    1,1,1-trichloroethane 1266.09
    2-aminoethanol 377.65
    morpholine-4-carbaldehyde 1513.9
    sulfolane 1133.14
    2,2,4-trimethylpentane 52.95
    2-methyltetrahydrofuran 2199.37
    n-hexyl acetate 749.54
    isooctane 48.32
    2-(2-butoxyethoxy)ethanol 779.73
    sec-butyl acetate 415.06
    tert-butyl acetate 730.44
    decalin 101.77
    glycerin 247.46
    diglyme 1395.36
    acrylic acid 423.62
    isopropyl myristate 245.22
    n-butyric acid 1027.41
    acetyl acetate 761.03
    di(2-ethylhexyl) phthalate 239.98
    ethyl propionate 515.24
    nitromethane 1295.38
    1,2-diethoxyethane 1127.14
    benzonitrile 793.59
    trioctyl phosphate 163.89
    1-bromopropane 898.38
    gamma-valerolactone 2092.59
    n-decanol 182.26
    triethyl phosphate 241.29
    4-methyl-2-pentanol 275.44
    propionitrile 1189.76
    vinylene carbonate 923.75
    1,1,2-trichlorotrifluoroethane 847.94
    DMS 525.78
    cumene 214.01
    2-octanol 203.22
    2-hexanone 531.78
    octyl acetate 317.29
    limonene 370.45
    1,2-dimethoxyethane 1230.38
    ethyl orthosilicate 248.87
    tributyl phosphate 224.22
    diacetone alcohol 571.76
    N,N-dimethylaniline 377.0
    acrylonitrile 1022.05
    aniline 859.08
    1,3-propanediol 616.47
    bromobenzene 1023.76
    dibromomethane 1563.62
    1,1,2,2-tetrachloroethane 1582.78
    2-methyl-cyclohexyl acetate 482.85
    tetrabutyl urea 258.82
    diisobutyl methanol 236.27
    2-phenylethanol 605.71
    styrene 432.89
    dioctyl adipate 348.95
    dimethyl sulfate 316.2
    ethyl butyrate 655.01
    methyl lactate 264.8
    butyl lactate 336.67
    diethyl carbonate 417.11
    propanediol butyl ether 420.77
    triethyl orthoformate 440.46
    p-tert-butyltoluene 242.33
    methyl 4-tert-butylbenzoate 432.07
    morpholine 3151.69
    tert-butylamine 689.53
    n-dodecanol 128.33
    dimethoxymethane 1117.98
    ethylene carbonate 808.95
    cyrene 369.81
    2-ethoxyethyl acetate 711.57
    2-ethylhexyl acetate 721.31
    1,2,4-trichlorobenzene 838.93
    4-methylpyridine 1703.1
    dibutyl ether 490.31
    2,6-dimethyl-4-heptanol 236.27
    DEF 885.44
    dimethyl isosorbide 972.52
    tetrachloroethylene 1033.66
    eugenol 390.57
    triacetin 549.67
    span 80 451.86
    1,4-butanediol 145.34
    1,1-dichloroethane 1395.12
    2-methyl-1-pentanol 370.83
    methyl formate 583.67
    2-methyl-1-butanol 605.58
    n-decane 50.77
    butyronitrile 1281.28
    3,7-dimethyl-1-octanol 305.34
    1-chlorooctane 224.76
    1-chlorotetradecane 79.24
    n-nonane 50.4
    undecane 34.52
    tert-butylcyclohexane 90.81
    cyclooctane 92.19
    cyclopentanol 730.35
    tetrahydropyran 2745.61
    tert-amyl methyl ether 560.33
    2,5,8-trioxanonane 877.03
    1-hexene 386.37
    2-isopropoxyethanol 371.6
    2,2,2-trifluoroethanol 200.95
    methyl butyrate 644.83

    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
Freesia, Living Flower Headspace Freesia refracta L. 3.7%
Freesia, Picked Flower Headspace Freesia refracta L. 0.05%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 6.4%
Spikenard 2 8022-22-8 Nardostachys jatamansi (Roxb.) DC., fam. Valerianaceae 0.05%
Valerian, root 8008-88-6 Valeriana officinalis L., fam. Valerianaceae 0.2%
Osmanthus headspace (living flowers) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 4.7%
Osmanthus headspace (picked flowers) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 13.75%
Osmanthus headspace (picked flowers) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 8.0%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 3.26%
Osmanthus headspace (flowers) (China) 2 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. thunbergii Makino, fam. Oleaceae 3.2%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 7.3%
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 8.2%
Violet odorata flower headspace Viola odorata L., fam. Violaceae 0.62%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 2.5%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.07%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 1.3%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.61%
Tulip sylvestre (headspace) Tulipa sylvestris L., fam. Liliaceae 0.6%
Tulip sylvestre headspace cv. "Generaal de Wet" Tulipa sylvestris L. cultivar "Generaal de Wet", fam. Liliaceae 0.48%