[8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate

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  • Identifiers

    CAS number
    141973-37-7

    Molecular formula
    C37H54O6

    SMILES
    CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC1=CC(=C2CCC(OC2=C1C=O)(C)CC(=O)C=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.42%
    Sweet 45.17%
    Waxy 40.68%
    Fruity 40.3%
    Jasmin 35.08%
    Rose 32.8%
    Fresh 32.52%
    Woody 32.1%
    Oily 29.98%
    Balsamic 29.9%

     

    Flavor
    Herbal 38.14%
    Woody 30.92%
    Floral 30.69%
    Fruity 29.66%
    Oily 27.03%
    Warm 26.46%
    Jasmin 25.26%
    Waxy 23.29%
    Spicy 23.05%
    Mild 20.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    -11.09 (strong acid)

    Molecular weight
    594.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    781°C

    Flash point

    • 118.8 ˚C est.

  • Synonyms

    • 141973-37-7
    • SCHEMBL29543757
    • CHEBI:187120
    • [8-ormyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate
    • 141973-37-7

  • Applications

    Compound [8-formyl-5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-3,4-dihydrochromen-7-yl]methyl (9E,12E)-octadeca-9,12-dienoate (CAS 141973-37-7) is a lipophilic chromene ester that is commonly evaluated as a fragrance ingredient and fixative in perfumery and cosmetic formulations, where it may contribute notes and help stabilize fragrance profiles. It may also serve as a synthetic intermediate for chromene-containing derivatives in industrial chemical applications, including coatings and polymer chemistry, and as a research precursor in pharmaceutical-type synthetic schemes that pursue chromene frameworks, subject to regulatory constraints. Additionally, it could be explored for use in household products as a scent additive, under appropriate formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.4
    methanol 44.91
    isopropanol 22.25
    water 0.07
    ethyl acetate 102.55
    n-propanol 51.27
    acetone 126.18
    n-butanol 40.89
    acetonitrile 50.5
    DMF 149.73
    toluene 63.72
    isobutanol 36.89
    1,4-dioxane 109.58
    methyl acetate 106.19
    THF 251.53
    2-butanone 150.64
    n-pentanol 43.04
    sec-butanol 39.73
    n-hexane 2.53
    ethylene glycol 4.34
    NMP 394.19
    cyclohexane 5.27
    DMSO 154.31
    n-butyl acetate 53.09
    n-octanol 18.36
    chloroform 649.93
    n-propyl acetate 76.0
    acetic acid 176.41
    dichloromethane 613.64
    cyclohexanone 270.81
    propylene glycol 10.87
    isopropyl acetate 55.09
    DMAc 363.14
    2-ethoxyethanol 72.53
    isopentanol 33.95
    n-heptane 1.57
    ethyl formate 71.36
    1,2-dichloroethane 265.97
    n-hexanol 21.67
    2-methoxyethanol 72.24
    isobutyl acetate 48.16
    tetrachloromethane 64.01
    n-pentyl acetate 73.43
    transcutol 168.01
    n-heptanol 20.25
    ethylbenzene 27.99
    MIBK 56.34
    2-propoxyethanol 70.31
    tert-butanol 23.54
    MTBE 29.61
    2-butoxyethanol 63.17
    propionic acid 92.99
    o-xylene 35.75
    formic acid 44.32
    diethyl ether 36.01
    m-xylene 30.94
    p-xylene 38.09
    chlorobenzene 136.55
    dimethyl carbonate 71.73
    n-octane 1.02
    formamide 61.73
    cyclopentanone 299.06
    2-pentanone 107.58
    anisole 60.62
    cyclopentyl methyl ether 94.38
    gamma-butyrolactone 330.0
    1-methoxy-2-propanol 63.36
    pyridine 185.52
    3-pentanone 110.14
    furfural 232.84
    n-dodecane 0.95
    diethylene glycol 32.87
    diisopropyl ether 8.94
    tert-amyl alcohol 36.07
    acetylacetone 139.0
    n-hexadecane 1.1
    acetophenone 93.2
    methyl propionate 116.87
    isopentyl acetate 51.91
    trichloroethylene 701.97
    n-nonanol 20.26
    cyclohexanol 61.12
    benzyl alcohol 67.91
    2-ethylhexanol 17.11
    isooctanol 19.27
    dipropyl ether 22.56
    1,2-dichlorobenzene 134.79
    ethyl lactate 43.09
    propylene carbonate 167.44
    n-methylformamide 90.35
    2-pentanol 24.46
    n-pentane 2.26
    1-propoxy-2-propanol 49.8
    1-methoxy-2-propyl acetate 71.77
    2-(2-methoxypropoxy) propanol 62.86
    mesitylene 15.05
    ε-caprolactone 236.2
    p-cymene 13.18
    epichlorohydrin 388.37
    1,1,1-trichloroethane 251.79
    2-aminoethanol 18.45
    morpholine-4-carbaldehyde 215.99
    sulfolane 395.8
    2,2,4-trimethylpentane 2.06
    2-methyltetrahydrofuran 146.53
    n-hexyl acetate 70.88
    isooctane 0.9
    2-(2-butoxyethoxy)ethanol 74.81
    sec-butyl acetate 48.26
    tert-butyl acetate 55.57
    decalin 3.89
    glycerin 18.76
    diglyme 146.35
    acrylic acid 88.39
    isopropyl myristate 22.8
    n-butyric acid 125.44
    acetyl acetate 87.02
    di(2-ethylhexyl) phthalate 40.8
    ethyl propionate 66.99
    nitromethane 265.93
    1,2-diethoxyethane 56.91
    benzonitrile 73.04
    trioctyl phosphate 24.64
    1-bromopropane 108.45
    gamma-valerolactone 382.33
    n-decanol 13.08
    triethyl phosphate 36.96
    4-methyl-2-pentanol 14.78
    propionitrile 56.21
    vinylene carbonate 177.02
    1,1,2-trichlorotrifluoroethane 255.8
    DMS 73.85
    cumene 17.21
    2-octanol 13.72
    2-hexanone 87.0
    octyl acetate 34.55
    limonene 18.43
    1,2-dimethoxyethane 103.16
    ethyl orthosilicate 33.15
    tributyl phosphate 30.36
    diacetone alcohol 69.85
    N,N-dimethylaniline 41.48
    acrylonitrile 75.5
    aniline 78.17
    1,3-propanediol 27.99
    bromobenzene 148.22
    dibromomethane 324.05
    1,1,2,2-tetrachloroethane 506.65
    2-methyl-cyclohexyl acetate 55.3
    tetrabutyl urea 42.45
    diisobutyl methanol 8.99
    2-phenylethanol 47.93
    styrene 37.2
    dioctyl adipate 49.26
    dimethyl sulfate 125.62
    ethyl butyrate 48.78
    methyl lactate 57.33
    butyl lactate 57.37
    diethyl carbonate 36.41
    propanediol butyl ether 44.82
    triethyl orthoformate 40.21
    p-tert-butyltoluene 11.04
    methyl 4-tert-butylbenzoate 78.93
    morpholine 143.61
    tert-butylamine 10.99
    n-dodecanol 8.78
    dimethoxymethane 109.25
    ethylene carbonate 145.94
    cyrene 101.57
    2-ethoxyethyl acetate 107.14
    2-ethylhexyl acetate 44.25
    1,2,4-trichlorobenzene 188.24
    4-methylpyridine 151.21
    dibutyl ether 23.21
    2,6-dimethyl-4-heptanol 8.99
    DEF 126.01
    dimethyl isosorbide 126.22
    tetrachloroethylene 296.5
    eugenol 71.09
    triacetin 109.02
    span 80 59.8
    1,4-butanediol 17.32
    1,1-dichloroethane 222.25
    2-methyl-1-pentanol 42.76
    methyl formate 75.49
    2-methyl-1-butanol 45.26
    n-decane 1.87
    butyronitrile 48.69
    3,7-dimethyl-1-octanol 18.48
    1-chlorooctane 14.98
    1-chlorotetradecane 4.88
    n-nonane 1.53
    undecane 1.25
    tert-butylcyclohexane 2.69
    cyclooctane 1.71
    cyclopentanol 71.14
    tetrahydropyran 126.37
    tert-amyl methyl ether 34.42
    2,5,8-trioxanonane 94.61
    1-hexene 15.84
    2-isopropoxyethanol 54.1
    2,2,2-trifluoroethanol 64.68
    methyl butyrate 94.74

    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