2,6-Decadienal, 3,7,9-trimethyl-

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  • Identifiers

    CAS number
    58605-97-3

    Molecular formula
    C13H22O

    SMILES
    CC(C)CC(=CCCC(=CC=O)C)C

  • Odor profile

    Fragrance
    Floral 72.96%
    Fruity 66.63%
    Citrus 64.43%
    Sweet 54.0%
    Waxy 52.51%
    Fresh 50.61%
    Aldehydic 49.85%
    Rose 48.96%
    Lemon 44.61%
    Herbal 42.52%

     

    Flavor
    Floral 73.62%
    Sweet 59.18%
    Citrus 56.86%
    Waxy 45.08%
    Green 44.6%
    Fruity 42.68%
    Bitter 40.24%
    Rose 40.06%
    Herbal 38.07%
    Lemon 37.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.83 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 107.85 ˚C est.

  • Synonyms

    • 2,6-Decadienal, 3,7,9-trimethyl-
    • DTXSID3069275
    • 58605-97-3
    • Isobutylcitral
    • AI3-36191
    • DTXCID6042446
    • INLBYQNSKXMVTI-UHFFFAOYSA-N
    • 3,7,9-trimethyl-2,6-decadien-1-al
    • DB-280994

  • Applications

    2,6-Decadienal, 3,7,9-trimethyl- (CAS 58605-97-3) is used in fragrance and cosmetic applications as a fragrance ingredient and occasional odor fixative to extend scent in perfumes and personal care products. It is also evaluated for flavor applications in the food industry at restricted levels in line with regulatory limits. In household and cleaning products, the compound may be added to impart or enhance aroma in detergents, cleaners, and air fresheners. In industrial manufacturing, it can function as an odorant modifier or fragrance additive in solvent or polymer systems, depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1456.54
    methanol 1136.03
    isopropanol 1230.3
    water 0.1
    ethyl acetate 1009.11
    n-propanol 1065.16
    acetone 1079.15
    n-butanol 1151.0
    acetonitrile 632.85
    DMF 590.03
    toluene 466.89
    isobutanol 761.1
    1,4-dioxane 1533.02
    methyl acetate 611.56
    THF 2306.82
    2-butanone 957.99
    n-pentanol 747.22
    sec-butanol 885.02
    n-hexane 439.42
    ethylene glycol 63.96
    NMP 498.49
    cyclohexane 449.1
    DMSO 489.36
    n-butyl acetate 1009.21
    n-octanol 287.87
    chloroform 1558.33
    n-propyl acetate 603.09
    acetic acid 417.88
    dichloromethane 1173.1
    cyclohexanone 1170.1
    propylene glycol 191.78
    isopropyl acetate 659.0
    DMAc 430.2
    2-ethoxyethanol 595.86
    isopentanol 906.08
    n-heptane 245.55
    ethyl formate 385.23
    1,2-dichloroethane 869.64
    n-hexanol 1219.53
    2-methoxyethanol 900.81
    isobutyl acetate 411.64
    tetrachloromethane 275.56
    n-pentyl acetate 386.01
    transcutol 2164.39
    n-heptanol 327.96
    ethylbenzene 250.9
    MIBK 576.42
    2-propoxyethanol 1175.13
    tert-butanol 1348.38
    MTBE 1390.86
    2-butoxyethanol 464.73
    propionic acid 376.75
    o-xylene 255.79
    formic acid 77.75
    diethyl ether 1599.0
    m-xylene 363.29
    p-xylene 280.64
    chlorobenzene 438.72
    dimethyl carbonate 112.94
    n-octane 69.19
    formamide 97.88
    cyclopentanone 987.66
    2-pentanone 1021.12
    anisole 382.31
    cyclopentyl methyl ether 1088.11
    gamma-butyrolactone 777.14
    1-methoxy-2-propanol 801.57
    pyridine 787.91
    3-pentanone 550.89
    furfural 579.11
    n-dodecane 35.48
    diethylene glycol 426.64
    diisopropyl ether 458.78
    tert-amyl alcohol 859.73
    acetylacetone 601.81
    n-hexadecane 41.23
    acetophenone 298.37
    methyl propionate 494.58
    isopentyl acetate 859.06
    trichloroethylene 1295.22
    n-nonanol 248.17
    cyclohexanol 872.04
    benzyl alcohol 313.1
    2-ethylhexanol 612.95
    isooctanol 275.24
    dipropyl ether 885.68
    1,2-dichlorobenzene 346.04
    ethyl lactate 187.19
    propylene carbonate 471.69
    n-methylformamide 268.68
    2-pentanol 854.09
    n-pentane 332.29
    1-propoxy-2-propanol 1022.03
    1-methoxy-2-propyl acetate 748.01
    2-(2-methoxypropoxy) propanol 410.12
    mesitylene 233.52
    ε-caprolactone 873.76
    p-cymene 197.69
    epichlorohydrin 1133.65
    1,1,1-trichloroethane 969.72
    2-aminoethanol 248.82
    morpholine-4-carbaldehyde 692.73
    sulfolane 667.33
    2,2,4-trimethylpentane 101.24
    2-methyltetrahydrofuran 1728.57
    n-hexyl acetate 566.62
    isooctane 111.21
    2-(2-butoxyethoxy)ethanol 638.32
    sec-butyl acetate 448.48
    tert-butyl acetate 711.18
    decalin 144.16
    glycerin 167.0
    diglyme 1075.44
    acrylic acid 200.34
    isopropyl myristate 218.2
    n-butyric acid 864.8
    acetyl acetate 363.45
    di(2-ethylhexyl) phthalate 178.07
    ethyl propionate 439.02
    nitromethane 463.88
    1,2-diethoxyethane 1002.81
    benzonitrile 417.23
    trioctyl phosphate 131.91
    1-bromopropane 894.08
    gamma-valerolactone 1112.88
    n-decanol 185.77
    triethyl phosphate 183.22
    4-methyl-2-pentanol 425.67
    propionitrile 584.25
    vinylene carbonate 363.27
    1,1,2-trichlorotrifluoroethane 534.89
    DMS 275.6
    cumene 183.45
    2-octanol 217.06
    2-hexanone 722.38
    octyl acetate 262.22
    limonene 374.46
    1,2-dimethoxyethane 1098.5
    ethyl orthosilicate 209.78
    tributyl phosphate 174.93
    diacetone alcohol 611.77
    N,N-dimethylaniline 250.68
    acrylonitrile 418.69
    aniline 458.11
    1,3-propanediol 451.46
    bromobenzene 459.04
    dibromomethane 986.17
    1,1,2,2-tetrachloroethane 1070.35
    2-methyl-cyclohexyl acetate 409.02
    tetrabutyl urea 198.94
    diisobutyl methanol 326.49
    2-phenylethanol 443.49
    styrene 281.77
    dioctyl adipate 274.14
    dimethyl sulfate 127.7
    ethyl butyrate 573.78
    methyl lactate 167.19
    butyl lactate 274.53
    diethyl carbonate 291.21
    propanediol butyl ether 387.52
    triethyl orthoformate 378.41
    p-tert-butyltoluene 201.79
    methyl 4-tert-butylbenzoate 290.91
    morpholine 1897.95
    tert-butylamine 992.25
    n-dodecanol 144.02
    dimethoxymethane 609.76
    ethylene carbonate 347.25
    cyrene 282.0
    2-ethoxyethyl acetate 483.86
    2-ethylhexyl acetate 641.02
    1,2,4-trichlorobenzene 378.57
    4-methylpyridine 829.31
    dibutyl ether 553.47
    2,6-dimethyl-4-heptanol 326.49
    DEF 620.63
    dimethyl isosorbide 652.46
    tetrachloroethylene 646.37
    eugenol 275.53
    triacetin 368.88
    span 80 398.01
    1,4-butanediol 153.64
    1,1-dichloroethane 1134.43
    2-methyl-1-pentanol 590.75
    methyl formate 179.99
    2-methyl-1-butanol 745.84
    n-decane 71.12
    butyronitrile 931.13
    3,7-dimethyl-1-octanol 340.24
    1-chlorooctane 249.36
    1-chlorotetradecane 93.05
    n-nonane 80.61
    undecane 47.61
    tert-butylcyclohexane 149.13
    cyclooctane 139.33
    cyclopentanol 668.53
    tetrahydropyran 2195.45
    tert-amyl methyl ether 784.37
    2,5,8-trioxanonane 611.42
    1-hexene 945.26
    2-isopropoxyethanol 476.98
    2,2,2-trifluoroethanol 78.79
    methyl butyrate 590.83

    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