3,7-Dimethyl-2-methylene-6-octenal, (+/-)-

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  • Identifiers

    CAS number
    22418-66-2

    Molecular formula
    C11H18O

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

  • Odor profile

    Fragrance
    Green 65.99%
    Citrus 64.22%
    Fresh 54.62%
    Herbal 54.5%
    Aldehydic 46.52%
    Woody 46.02%
    Lemon 39.88%
    Floral 35.39%
    Fruity 34.56%
    Sweet 33.98%

     

    Flavor
    Herbal 54.95%
    Citrus 45.73%
    Sweet 41.21%
    Spicy 40.19%
    Woody 38.81%
    Green 36.41%
    Floral 33.3%
    Herb 31.99%
    Orange 28.51%
    Lemon 27.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.26 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 85.26 ˚C est.

  • Synonyms

    • 22418-66-2
    • 3,7-Dimethyl-2-methyleneocta-6-enal
    • alpha-Methylenecitronellal
    • 3,7-dimethyl-2-methylideneoct-6-enal
    • 6-Octenal, 3,7-dimethyl-2-methylene-
    • 3,7-DIMETHYL-2-METHYLENE-OCT-6-ENAL
    • K0DB1O9KVL
    • 3,7-dimethyl-2-methylene-6-octenal
    • 6-Octenal,3,7-dimethyl-2-methylene-
    • EINECS 244-981-5
    • 3,7-Dimethyl-2-methylene-6-octenal, (+/-)-
    • DTXSID9051872
    • UNII-K0DB1O9KVL
    • SCHEMBL227884
    • DTXCID2030431
    • FAGYGFPZNTYLAO-UHFFFAOYSA-N
    • AKOS006271626
    • NS00012312
    • (+/-)-3,7-dimethyl-2-methylene-6-octenal
    • Q27281777

  • Applications

    3,7-Dimethyl-2-methylene-6-octenal, (+/-)- (CAS number: 22418-66-2) is used primarily as a fragrance ingredient in perfumery, contributing green, aldehydic notes, and it may be evaluated for use as a flavor/aroma compound in food-related applications; it also appears in cosmetics and personal care formulations as a fragrance constituent and can be employed in household cleaning products as a scent additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.41
    methanol 396.56
    isopropanol 432.6
    water 0.23
    ethyl acetate 626.06
    n-propanol 442.67
    acetone 389.25
    n-butanol 498.52
    acetonitrile 339.56
    DMF 273.61
    toluene 321.15
    isobutanol 314.64
    1,4-dioxane 988.93
    methyl acetate 429.07
    THF 920.93
    2-butanone 517.7
    n-pentanol 338.08
    sec-butanol 421.05
    n-hexane 151.98
    ethylene glycol 30.31
    NMP 261.65
    cyclohexane 182.42
    DMSO 187.08
    n-butyl acetate 619.76
    n-octanol 150.2
    chloroform 1028.8
    n-propyl acetate 377.4
    acetic acid 268.53
    dichloromethane 695.16
    cyclohexanone 646.23
    propylene glycol 78.42
    isopropyl acetate 381.86
    DMAc 312.87
    2-ethoxyethanol 319.51
    isopentanol 446.03
    n-heptane 77.72
    ethyl formate 232.4
    1,2-dichloroethane 485.1
    n-hexanol 551.72
    2-methoxyethanol 408.07
    isobutyl acetate 256.4
    tetrachloromethane 200.7
    n-pentyl acetate 239.92
    transcutol 1480.58
    n-heptanol 175.34
    ethylbenzene 199.11
    MIBK 281.97
    2-propoxyethanol 525.29
    tert-butanol 672.78
    MTBE 745.41
    2-butoxyethanol 254.93
    propionic acid 227.75
    o-xylene 193.58
    formic acid 63.22
    diethyl ether 733.95
    m-xylene 238.86
    p-xylene 244.94
    chlorobenzene 339.02
    dimethyl carbonate 76.94
    n-octane 26.76
    formamide 84.42
    cyclopentanone 469.64
    2-pentanone 428.59
    anisole 331.38
    cyclopentyl methyl ether 475.89
    gamma-butyrolactone 432.24
    1-methoxy-2-propanol 353.12
    pyridine 593.52
    3-pentanone 302.81
    furfural 416.29
    n-dodecane 15.14
    diethylene glycol 224.35
    diisopropyl ether 226.68
    tert-amyl alcohol 518.22
    acetylacetone 322.08
    n-hexadecane 17.55
    acetophenone 259.18
    methyl propionate 278.49
    isopentyl acetate 555.23
    trichloroethylene 939.85
    n-nonanol 140.25
    cyclohexanol 410.11
    benzyl alcohol 227.04
    2-ethylhexanol 321.15
    isooctanol 155.2
    dipropyl ether 391.06
    1,2-dichlorobenzene 294.2
    ethyl lactate 116.83
    propylene carbonate 301.16
    n-methylformamide 143.29
    2-pentanol 394.39
    n-pentane 107.49
    1-propoxy-2-propanol 459.15
    1-methoxy-2-propyl acetate 456.83
    2-(2-methoxypropoxy) propanol 300.58
    mesitylene 159.97
    ε-caprolactone 550.17
    p-cymene 140.65
    epichlorohydrin 656.93
    1,1,1-trichloroethane 672.74
    2-aminoethanol 107.64
    morpholine-4-carbaldehyde 414.57
    sulfolane 325.62
    2,2,4-trimethylpentane 59.64
    2-methyltetrahydrofuran 829.33
    n-hexyl acetate 326.45
    isooctane 56.82
    2-(2-butoxyethoxy)ethanol 395.02
    sec-butyl acetate 310.59
    tert-butyl acetate 405.07
    decalin 83.05
    glycerin 87.51
    diglyme 686.95
    acrylic acid 139.94
    isopropyl myristate 136.25
    n-butyric acid 461.0
    acetyl acetate 271.14
    di(2-ethylhexyl) phthalate 119.04
    ethyl propionate 290.65
    nitromethane 303.89
    1,2-diethoxyethane 628.03
    benzonitrile 292.59
    trioctyl phosphate 78.77
    1-bromopropane 430.43
    gamma-valerolactone 638.47
    n-decanol 100.92
    triethyl phosphate 131.1
    4-methyl-2-pentanol 231.81
    propionitrile 343.74
    vinylene carbonate 262.68
    1,1,2-trichlorotrifluoroethane 318.21
    DMS 205.25
    cumene 141.66
    2-octanol 120.97
    2-hexanone 392.65
    octyl acetate 152.24
    limonene 220.28
    1,2-dimethoxyethane 648.87
    ethyl orthosilicate 150.24
    tributyl phosphate 110.73
    diacetone alcohol 336.71
    N,N-dimethylaniline 200.26
    acrylonitrile 297.24
    aniline 305.65
    1,3-propanediol 219.6
    bromobenzene 351.59
    dibromomethane 557.69
    1,1,2,2-tetrachloroethane 728.29
    2-methyl-cyclohexyl acetate 289.43
    tetrabutyl urea 120.13
    diisobutyl methanol 195.41
    2-phenylethanol 293.99
    styrene 224.47
    dioctyl adipate 177.22
    dimethyl sulfate 90.63
    ethyl butyrate 387.13
    methyl lactate 95.89
    butyl lactate 176.29
    diethyl carbonate 230.24
    propanediol butyl ether 204.1
    triethyl orthoformate 260.28
    p-tert-butyltoluene 143.27
    methyl 4-tert-butylbenzoate 217.7
    morpholine 1040.02
    tert-butylamine 487.46
    n-dodecanol 76.26
    dimethoxymethane 250.22
    ethylene carbonate 241.15
    cyrene 193.59
    2-ethoxyethyl acetate 325.63
    2-ethylhexyl acetate 425.84
    1,2,4-trichlorobenzene 319.46
    4-methylpyridine 601.57
    dibutyl ether 282.54
    2,6-dimethyl-4-heptanol 195.41
    DEF 376.72
    dimethyl isosorbide 481.64
    tetrachloroethylene 510.9
    eugenol 205.68
    triacetin 260.31
    span 80 254.65
    1,4-butanediol 76.36
    1,1-dichloroethane 656.92
    2-methyl-1-pentanol 320.7
    methyl formate 96.87
    2-methyl-1-butanol 377.46
    n-decane 30.19
    butyronitrile 436.5
    3,7-dimethyl-1-octanol 198.62
    1-chlorooctane 124.56
    1-chlorotetradecane 46.94
    n-nonane 30.7
    undecane 20.22
    tert-butylcyclohexane 83.14
    cyclooctane 57.7
    cyclopentanol 285.51
    tetrahydropyran 1087.11
    tert-amyl methyl ether 453.76
    2,5,8-trioxanonane 425.89
    1-hexene 417.68
    2-isopropoxyethanol 264.29
    2,2,2-trifluoroethanol 65.97
    methyl butyrate 384.08

    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