16-Methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid

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  • Identifiers

    CAS number
    25368-09-6

    Molecular formula
    C21H26O4

    SMILES
    CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 59.72%
    Fruity 50.06%
    Woody 43.42%
    Balsamic 36.42%
    Spicy 34.61%
    Citrus 34.03%
    Green 32.4%
    Oily 32.38%
    Tropical 32.26%
    Floral 31.99%

     

    Flavor
    Oriental 23.91%
    Balsam 22.75%
    Nitrile 20.49%
    Spicy 20.4%
    Ocimene 20.33%
    Mouldy 20.22%
    Basil 19.76%
    Diterpene 19.41%
    Low 19.39%
    Heather 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.64 (neutral)

    Molecular weight
    342.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point

    • 235.52 ˚C est.

  • Synonyms

    • RefChem:437514
    • 16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid
    • 112-602-1
    • 25368-09-6
    • ABA36809
    • 8,8'-Diapo-|x,|x-carotene-8,8'-dioic acid 8-methyl ester
    • 25368-09-6

  • Applications

    16-Methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid (CAS 25368-09-6) is typically encountered as an advanced intermediate in organic synthesis, serving as a precursor for more complex pharmaceuticals, agrochemicals, and specialty chemicals; it may be evaluated for fragrance and flavor applications as a potential odor-active intermediate or fragrance precursor, and in cosmetics/personal care as a formulation intermediate under regulatory limits; in industry it can be studied as a building block for specialty polymers or coatings, where it could contribute to formulation performance, durability, or crosslinking, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.23
    methanol 9.58
    isopropanol 6.5
    water 0.01
    ethyl acetate 20.36
    n-propanol 11.63
    acetone 15.15
    n-butanol 10.96
    acetonitrile 5.03
    DMF 55.13
    toluene 12.46
    isobutanol 6.39
    1,4-dioxane 40.94
    methyl acetate 21.11
    THF 132.56
    2-butanone 36.72
    n-pentanol 14.37
    sec-butanol 16.9
    n-hexane 2.05
    ethylene glycol 0.52
    NMP 80.47
    cyclohexane 1.09
    DMSO 40.99
    n-butyl acetate 12.1
    n-octanol 4.17
    chloroform 112.2
    n-propyl acetate 14.29
    acetic acid 10.18
    dichloromethane 96.35
    cyclohexanone 36.48
    propylene glycol 2.51
    isopropyl acetate 14.64
    DMAc 166.26
    2-ethoxyethanol 36.58
    isopentanol 10.21
    n-heptane 0.66
    ethyl formate 7.31
    1,2-dichloroethane 48.77
    n-hexanol 9.52
    2-methoxyethanol 26.74
    isobutyl acetate 7.71
    tetrachloromethane 7.08
    n-pentyl acetate 11.37
    transcutol 93.24
    n-heptanol 6.65
    ethylbenzene 11.0
    MIBK 15.02
    2-propoxyethanol 30.81
    tert-butanol 13.24
    MTBE 33.6
    2-butoxyethanol 20.84
    propionic acid 8.81
    o-xylene 10.95
    formic acid 3.71
    diethyl ether 27.3
    m-xylene 7.37
    p-xylene 10.45
    chlorobenzene 14.37
    dimethyl carbonate 10.07
    n-octane 0.35
    formamide 9.18
    cyclopentanone 49.4
    2-pentanone 22.5
    anisole 33.99
    cyclopentyl methyl ether 35.25
    gamma-butyrolactone 47.1
    1-methoxy-2-propanol 28.34
    pyridine 37.26
    3-pentanone 24.25
    furfural 37.24
    n-dodecane 0.21
    diethylene glycol 9.89
    diisopropyl ether 6.12
    tert-amyl alcohol 29.26
    acetylacetone 23.84
    n-hexadecane 0.24
    acetophenone 27.21
    methyl propionate 22.1
    isopentyl acetate 13.51
    trichloroethylene 105.63
    n-nonanol 4.9
    cyclohexanol 9.73
    benzyl alcohol 17.25
    2-ethylhexanol 6.82
    isooctanol 5.85
    dipropyl ether 12.03
    1,2-dichlorobenzene 18.03
    ethyl lactate 8.6
    propylene carbonate 17.47
    n-methylformamide 12.29
    2-pentanol 9.45
    n-pentane 0.96
    1-propoxy-2-propanol 20.43
    1-methoxy-2-propyl acetate 23.75
    2-(2-methoxypropoxy) propanol 27.41
    mesitylene 4.3
    ε-caprolactone 36.23
    p-cymene 4.14
    epichlorohydrin 89.91
    1,1,1-trichloroethane 28.54
    2-aminoethanol 3.19
    morpholine-4-carbaldehyde 70.75
    sulfolane 67.15
    2,2,4-trimethylpentane 1.85
    2-methyltetrahydrofuran 65.67
    n-hexyl acetate 13.96
    isooctane 0.62
    2-(2-butoxyethoxy)ethanol 30.54
    sec-butyl acetate 12.89
    tert-butyl acetate 23.27
    decalin 1.81
    glycerin 4.19
    diglyme 77.84
    acrylic acid 7.08
    isopropyl myristate 5.1
    n-butyric acid 12.1
    acetyl acetate 10.22
    di(2-ethylhexyl) phthalate 6.99
    ethyl propionate 16.37
    nitromethane 26.72
    1,2-diethoxyethane 27.2
    benzonitrile 9.2
    trioctyl phosphate 3.6
    1-bromopropane 28.6
    gamma-valerolactone 70.37
    n-decanol 3.12
    triethyl phosphate 10.74
    4-methyl-2-pentanol 6.36
    propionitrile 7.61
    vinylene carbonate 13.72
    1,1,2-trichlorotrifluoroethane 46.04
    DMS 12.85
    cumene 7.16
    2-octanol 3.74
    2-hexanone 22.36
    octyl acetate 6.42
    limonene 6.0
    1,2-dimethoxyethane 75.31
    ethyl orthosilicate 12.48
    tributyl phosphate 4.89
    diacetone alcohol 26.9
    N,N-dimethylaniline 27.28
    acrylonitrile 8.33
    aniline 13.7
    1,3-propanediol 5.71
    bromobenzene 15.55
    dibromomethane 53.07
    1,1,2,2-tetrachloroethane 97.32
    2-methyl-cyclohexyl acetate 15.57
    tetrabutyl urea 8.31
    diisobutyl methanol 4.59
    2-phenylethanol 14.55
    styrene 12.0
    dioctyl adipate 10.73
    dimethyl sulfate 24.22
    ethyl butyrate 13.76
    methyl lactate 9.61
    butyl lactate 10.11
    diethyl carbonate 8.57
    propanediol butyl ether 12.79
    triethyl orthoformate 14.39
    p-tert-butyltoluene 4.06
    methyl 4-tert-butylbenzoate 24.12
    morpholine 65.62
    tert-butylamine 8.11
    n-dodecanol 2.03
    dimethoxymethane 41.41
    ethylene carbonate 9.44
    cyrene 33.17
    2-ethoxyethyl acetate 22.79
    2-ethylhexyl acetate 11.23
    1,2,4-trichlorobenzene 24.02
    4-methylpyridine 32.84
    dibutyl ether 7.67
    2,6-dimethyl-4-heptanol 4.59
    DEF 40.43
    dimethyl isosorbide 59.87
    tetrachloroethylene 46.65
    eugenol 22.53
    triacetin 18.87
    span 80 17.54
    1,4-butanediol 3.52
    1,1-dichloroethane 31.44
    2-methyl-1-pentanol 17.65
    methyl formate 7.14
    2-methyl-1-butanol 12.6
    n-decane 0.48
    butyronitrile 8.29
    3,7-dimethyl-1-octanol 5.3
    1-chlorooctane 3.2
    1-chlorotetradecane 0.92
    n-nonane 0.41
    undecane 0.3
    tert-butylcyclohexane 1.84
    cyclooctane 0.44
    cyclopentanol 10.09
    tetrahydropyran 40.78
    tert-amyl methyl ether 38.13
    2,5,8-trioxanonane 49.25
    1-hexene 9.71
    2-isopropoxyethanol 26.76
    2,2,2-trifluoroethanol 4.15
    methyl butyrate 19.45

    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