(2E,4E,6E,8E,10E,12E,14E)-15-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal

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  • Identifiers

    CAS number
    17237-68-2

    Molecular formula
    C27H36O3

    SMILES
    C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(\C)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 50.74%
    Woody 49.63%
    Floral 41.77%
    Fruity 40.08%
    Balsamic 34.43%
    Tropical 30.51%
    Powdery 30.43%
    Fresh 29.04%
    Oily 28.85%
    Spicy 28.14%

     

    Flavor
    Balsam 25.62%
    Spicy 24.57%
    Oriental 23.75%
    Bitter 22.11%
    Ocimene 20.6%
    Mouldy 20.42%
    Balsamic 20.18%
    Nitrile 20.1%
    Herbal 20.0%
    Sweet 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    3.13 (weak acid)

    Molecular weight
    408.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    745°C

    Flash point

    • 185.38 ˚C est.

  • Synonyms

    • DTXSID201100390
    • 17237-68-2
    • (2E,4E,6E,8E,10E,12E,14E)-15-[(1S,4S,6R)-4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-4,9,13-trimethyl-2,4,6,8,10,12,14-pentadecaheptaenal
    • 17237-68-2

  • Applications

    Chemical name: (2E,4E,6E,8E,10E,12E,14E)-15-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal; CAS number: 17237-68-2. In the fragrance and flavor industries, this compound may be used as an odorant or a fixative, owing to its polyene aldehyde functionality and a rigid bicyclic framework bearing a hydroxyl group. It is also viewed as an intermediate for the synthesis of more complex aroma compounds. In cosmetics and personal care, it could be evaluated as a fragrance ingredient, subject to local restrictions and formulation limits. In industrial manufacturing, it may serve as a specialized intermediate for aroma-related fine chemicals or as a building block for polymer or coating formulations. In coatings and inks, it may contribute to fragrance profiles or act as an aldehyde intermediate for resin modification. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.52
    methanol 5.49
    isopropanol 1.87
    water 0.01
    ethyl acetate 7.12
    n-propanol 5.57
    acetone 4.63
    n-butanol 5.37
    acetonitrile 2.8
    DMF 8.25
    toluene 5.07
    isobutanol 3.34
    1,4-dioxane 12.79
    methyl acetate 5.57
    THF 36.62
    2-butanone 9.44
    n-pentanol 7.99
    sec-butanol 3.36
    n-hexane 0.51
    ethylene glycol 0.35
    NMP 21.89
    cyclohexane 0.5
    DMSO 6.8
    n-butyl acetate 9.05
    n-octanol 4.16
    chloroform 38.36
    n-propyl acetate 10.02
    acetic acid 6.97
    dichloromethane 26.89
    cyclohexanone 15.1
    propylene glycol 1.07
    isopropyl acetate 5.7
    DMAc 24.99
    2-ethoxyethanol 15.33
    isopentanol 4.84
    n-heptane 0.52
    ethyl formate 4.12
    1,2-dichloroethane 9.56
    n-hexanol 7.47
    2-methoxyethanol 9.6
    isobutyl acetate 9.27
    tetrachloromethane 2.92
    n-pentyl acetate 8.81
    transcutol 39.68
    n-heptanol 5.78
    ethylbenzene 4.18
    MIBK 7.35
    2-propoxyethanol 23.58
    tert-butanol 2.3
    MTBE 4.68
    2-butoxyethanol 17.42
    propionic acid 4.48
    o-xylene 2.83
    formic acid 2.73
    diethyl ether 5.48
    m-xylene 3.13
    p-xylene 4.84
    chlorobenzene 8.08
    dimethyl carbonate 3.38
    n-octane 0.2
    formamide 3.62
    cyclopentanone 16.38
    2-pentanone 7.83
    anisole 13.58
    cyclopentyl methyl ether 9.35
    gamma-butyrolactone 16.26
    1-methoxy-2-propanol 8.62
    pyridine 17.3
    3-pentanone 7.11
    furfural 17.05
    n-dodecane 0.18
    diethylene glycol 8.07
    diisopropyl ether 1.53
    tert-amyl alcohol 3.72
    acetylacetone 8.09
    n-hexadecane 0.21
    acetophenone 14.54
    methyl propionate 6.71
    isopentyl acetate 10.88
    trichloroethylene 26.28
    n-nonanol 5.25
    cyclohexanol 3.56
    benzyl alcohol 9.88
    2-ethylhexanol 5.88
    isooctanol 5.12
    dipropyl ether 7.18
    1,2-dichlorobenzene 8.1
    ethyl lactate 6.7
    propylene carbonate 10.19
    n-methylformamide 4.22
    2-pentanol 2.62
    n-pentane 0.28
    1-propoxy-2-propanol 14.92
    1-methoxy-2-propyl acetate 14.3
    2-(2-methoxypropoxy) propanol 18.41
    mesitylene 1.6
    ε-caprolactone 16.9
    p-cymene 2.8
    epichlorohydrin 25.25
    1,1,1-trichloroethane 8.65
    2-aminoethanol 2.25
    morpholine-4-carbaldehyde 20.91
    sulfolane 18.29
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 16.25
    n-hexyl acetate 10.5
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 21.35
    sec-butyl acetate 8.15
    tert-butyl acetate 7.27
    decalin 0.66
    glycerin 1.85
    diglyme 35.02
    acrylic acid 4.02
    isopropyl myristate 4.59
    n-butyric acid 7.56
    acetyl acetate 5.12
    di(2-ethylhexyl) phthalate 7.83
    ethyl propionate 9.16
    nitromethane 9.17
    1,2-diethoxyethane 12.19
    benzonitrile 7.22
    trioctyl phosphate 4.01
    1-bromopropane 6.9
    gamma-valerolactone 28.89
    n-decanol 3.38
    triethyl phosphate 6.89
    4-methyl-2-pentanol 2.74
    propionitrile 4.29
    vinylene carbonate 10.33
    1,1,2-trichlorotrifluoroethane 18.39
    DMS 6.22
    cumene 3.17
    2-octanol 2.78
    2-hexanone 12.67
    octyl acetate 5.93
    limonene 3.5
    1,2-dimethoxyethane 23.6
    ethyl orthosilicate 7.72
    tributyl phosphate 4.68
    diacetone alcohol 8.89
    N,N-dimethylaniline 9.76
    acrylonitrile 4.51
    aniline 5.52
    1,3-propanediol 3.36
    bromobenzene 8.55
    dibromomethane 14.91
    1,1,2,2-tetrachloroethane 19.56
    2-methyl-cyclohexyl acetate 13.38
    tetrabutyl urea 7.1
    diisobutyl methanol 2.85
    2-phenylethanol 13.07
    styrene 4.74
    dioctyl adipate 9.58
    dimethyl sulfate 5.71
    ethyl butyrate 10.7
    methyl lactate 4.19
    butyl lactate 8.8
    diethyl carbonate 7.14
    propanediol butyl ether 9.95
    triethyl orthoformate 10.05
    p-tert-butyltoluene 2.46
    methyl 4-tert-butylbenzoate 14.34
    morpholine 17.62
    tert-butylamine 1.44
    n-dodecanol 2.18
    dimethoxymethane 9.73
    ethylene carbonate 7.4
    cyrene 23.21
    2-ethoxyethyl acetate 15.0
    2-ethylhexyl acetate 9.49
    1,2,4-trichlorobenzene 11.36
    4-methylpyridine 13.3
    dibutyl ether 4.76
    2,6-dimethyl-4-heptanol 2.85
    DEF 9.96
    dimethyl isosorbide 31.52
    tetrachloroethylene 11.32
    eugenol 16.76
    triacetin 13.59
    span 80 13.69
    1,4-butanediol 2.4
    1,1-dichloroethane 7.48
    2-methyl-1-pentanol 8.27
    methyl formate 2.8
    2-methyl-1-butanol 5.07
    n-decane 0.39
    butyronitrile 5.15
    3,7-dimethyl-1-octanol 4.49
    1-chlorooctane 2.39
    1-chlorotetradecane 0.85
    n-nonane 0.29
    undecane 0.25
    tert-butylcyclohexane 0.61
    cyclooctane 0.22
    cyclopentanol 3.72
    tetrahydropyran 12.51
    tert-amyl methyl ether 5.18
    2,5,8-trioxanonane 24.68
    1-hexene 2.73
    2-isopropoxyethanol 13.19
    2,2,2-trifluoroethanol 2.61
    methyl butyrate 11.15

    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