(2E)-2-((3E,7E)-4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)propanal

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  • Identifiers

    CAS number
    129673-85-4

    Molecular formula
    C15H20O2

    SMILES
    C/C/1=C\C/C(=C(/C)\C=O)/C(=O)C/C(=C/CC1)/C

    Safety labels

  • Odor profile

    Fragrance
    Mint 63.13%
    Herbal 56.69%
    Sweet 51.28%
    Fruity 51.23%
    Spicy 47.09%
    Tobacco 40.19%
    Floral 40.15%
    Green 37.37%
    Hay 36.91%
    Woody 34.24%

     

    Flavor
    Minty 46.48%
    Phenolic 41.41%
    Spice 37.87%
    Spicy 36.13%
    Sweet 35.0%
    Herbal 32.93%
    Tobacco 31.5%
    Caramel 31.35%
    Mint 29.75%
    Cherry 28.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.53 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Flash point

    • 145.5 ˚C est.

  • Synonyms

    • DTXSID201150252
    • 129673-85-4
    • (2E)-2-((3E,7E)-4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)propanal
    • (2E)-2-[(3E,7E)-4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene]propanal
    • RefChem:1049757
    • DTXCID801581807
    • Germacrone-13-al
    • (2E)-2-[(3E,7E)-4,8-dimethyl-10-oxocyclodeca-3,7-dien-1-ylidene]propanal
    • CHEBI:180837
    • (E,E,E)-2-(4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)-propanal
    • 129673-85-4

  • Applications

    (2E)-2-((3E,7E)-4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)propanal, CAS 129673-85-4, is a compound commonly considered as a fragrance ingredient and odorant with potential use across several industries. In perfumery and cosmetics, it may be employed as a fragrance component or odor note and can contribute to the scent profile, sometimes acting as a fixative. It may also be used in household products and cleaners to impart or stabilize aroma; in industrial manufacturing, it can serve as an intermediate in the synthesis of aroma-related chemicals and other specialty compounds, acting as a building block for downstream products. Additionally, it may be evaluated for use in coatings and inks as a fragrance additive in selected formulations. As with any aroma chemical, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.96
    methanol 117.74
    isopropanol 66.44
    water 0.12
    ethyl acetate 125.77
    n-propanol 96.53
    acetone 112.47
    n-butanol 97.16
    acetonitrile 111.75
    DMF 221.76
    toluene 205.08
    isobutanol 64.86
    1,4-dioxane 264.37
    methyl acetate 134.05
    THF 303.27
    2-butanone 180.18
    n-pentanol 79.95
    sec-butanol 75.0
    n-hexane 4.1
    ethylene glycol 11.33
    NMP 222.13
    cyclohexane 12.12
    DMSO 126.35
    n-butyl acetate 128.23
    n-octanol 32.26
    chloroform 556.53
    n-propyl acetate 107.43
    acetic acid 80.94
    dichloromethane 492.18
    cyclohexanone 262.15
    propylene glycol 28.93
    isopropyl acetate 78.94
    DMAc 253.08
    2-ethoxyethanol 100.6
    isopentanol 90.89
    n-heptane 2.64
    ethyl formate 88.12
    1,2-dichloroethane 250.17
    n-hexanol 88.33
    2-methoxyethanol 138.84
    isobutyl acetate 77.4
    tetrachloromethane 43.05
    n-pentyl acetate 66.28
    transcutol 469.85
    n-heptanol 42.47
    ethylbenzene 95.74
    MIBK 84.12
    2-propoxyethanol 138.39
    tert-butanol 85.34
    MTBE 65.17
    2-butoxyethanol 90.41
    propionic acid 71.85
    o-xylene 96.14
    formic acid 28.15
    diethyl ether 87.03
    m-xylene 110.74
    p-xylene 110.68
    chlorobenzene 182.6
    dimethyl carbonate 45.52
    n-octane 1.47
    formamide 56.22
    cyclopentanone 255.99
    2-pentanone 124.23
    anisole 160.07
    cyclopentyl methyl ether 124.25
    gamma-butyrolactone 226.59
    1-methoxy-2-propanol 106.82
    pyridine 356.46
    3-pentanone 102.01
    furfural 248.6
    n-dodecane 1.48
    diethylene glycol 79.06
    diisopropyl ether 23.15
    tert-amyl alcohol 81.42
    acetylacetone 116.85
    n-hexadecane 1.8
    acetophenone 158.51
    methyl propionate 99.15
    isopentyl acetate 119.61
    trichloroethylene 546.04
    n-nonanol 31.43
    cyclohexanol 91.48
    benzyl alcohol 150.86
    2-ethylhexanol 57.49
    isooctanol 35.56
    dipropyl ether 46.43
    1,2-dichlorobenzene 148.28
    ethyl lactate 53.85
    propylene carbonate 147.78
    n-methylformamide 88.89
    2-pentanol 58.53
    n-pentane 3.44
    1-propoxy-2-propanol 102.89
    1-methoxy-2-propyl acetate 123.25
    2-(2-methoxypropoxy) propanol 104.21
    mesitylene 52.96
    ε-caprolactone 200.71
    p-cymene 41.68
    epichlorohydrin 325.94
    1,1,1-trichloroethane 192.88
    2-aminoethanol 38.79
    morpholine-4-carbaldehyde 226.2
    sulfolane 209.3
    2,2,4-trimethylpentane 4.06
    2-methyltetrahydrofuran 211.75
    n-hexyl acetate 89.41
    isooctane 3.2
    2-(2-butoxyethoxy)ethanol 133.75
    sec-butyl acetate 83.86
    tert-butyl acetate 83.9
    decalin 10.81
    glycerin 38.63
    diglyme 250.37
    acrylic acid 64.39
    isopropyl myristate 34.03
    n-butyric acid 113.51
    acetyl acetate 78.8
    di(2-ethylhexyl) phthalate 48.59
    ethyl propionate 87.45
    nitromethane 145.63
    1,2-diethoxyethane 122.53
    benzonitrile 173.3
    trioctyl phosphate 27.83
    1-bromopropane 125.83
    gamma-valerolactone 284.36
    n-decanol 21.86
    triethyl phosphate 47.24
    4-methyl-2-pentanol 41.83
    propionitrile 115.64
    vinylene carbonate 145.22
    1,1,2-trichlorotrifluoroethane 177.42
    DMS 86.8
    cumene 54.31
    2-octanol 24.37
    2-hexanone 119.21
    octyl acetate 42.81
    limonene 49.8
    1,2-dimethoxyethane 190.66
    ethyl orthosilicate 45.77
    tributyl phosphate 36.48
    diacetone alcohol 105.84
    N,N-dimethylaniline 105.18
    acrylonitrile 143.39
    aniline 187.92
    1,3-propanediol 62.58
    bromobenzene 188.35
    dibromomethane 294.93
    1,1,2,2-tetrachloroethane 400.27
    2-methyl-cyclohexyl acetate 90.4
    tetrabutyl urea 47.31
    diisobutyl methanol 30.98
    2-phenylethanol 130.8
    styrene 120.75
    dioctyl adipate 59.45
    dimethyl sulfate 63.1
    ethyl butyrate 93.61
    methyl lactate 46.82
    butyl lactate 64.88
    diethyl carbonate 64.96
    propanediol butyl ether 78.55
    triethyl orthoformate 62.55
    p-tert-butyltoluene 37.2
    methyl 4-tert-butylbenzoate 95.33
    morpholine 306.35
    tert-butylamine 49.19
    n-dodecanol 15.83
    dimethoxymethane 118.45
    ethylene carbonate 110.14
    cyrene 114.43
    2-ethoxyethyl acetate 107.21
    2-ethylhexyl acetate 94.17
    1,2,4-trichlorobenzene 191.7
    4-methylpyridine 346.86
    dibutyl ether 39.37
    2,6-dimethyl-4-heptanol 30.98
    DEF 139.69
    dimethyl isosorbide 187.85
    tetrachloroethylene 222.13
    eugenol 102.66
    triacetin 99.21
    span 80 81.97
    1,4-butanediol 28.6
    1,1-dichloroethane 226.36
    2-methyl-1-pentanol 91.32
    methyl formate 60.83
    2-methyl-1-butanol 85.58
    n-decane 2.67
    butyronitrile 128.86
    3,7-dimethyl-1-octanol 41.26
    1-chlorooctane 20.89
    1-chlorotetradecane 7.3
    n-nonane 2.15
    undecane 1.9
    tert-butylcyclohexane 9.14
    cyclooctane 3.45
    cyclopentanol 80.23
    tetrahydropyran 244.28
    tert-amyl methyl ether 57.96
    2,5,8-trioxanonane 171.24
    1-hexene 36.46
    2-isopropoxyethanol 78.26
    2,2,2-trifluoroethanol 26.49
    methyl butyrate 124.53

    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