5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    144049-68-3

    Molecular formula
    C43H74O4

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 75.62%
    Fatty 56.53%
    Oily 35.52%
    Odorless 32.57%
    Savory 19.85%
    Creamy 18.16%
    Meaty 17.69%
    Animal 17.53%
    Dairy 17.25%
    Burnt 16.56%

     

    Flavor
    Waxy 39.45%
    Bland 33.21%
    Mild 31.05%
    Fatty 24.01%
    Faint 23.83%
    Slightly waxy 22.69%
    Alkane 22.06%
    Odorless 21.49%
    Delicate 20.56%
    Bay oil 20.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.2

    pKa est.
    -67371.34 (strong acid)

    Molecular weight
    655.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1210°C

    Melting point expt.

    • 83 °C

    Flash point

    • -356567.09 ˚C est.

  • Synonyms

    • 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one
    • 5-hydroxy-7-methoxy-2-tritriacontyl-4H-chromen-4-one
    • 144049-68-3
    • RefChem:102837
    • DTXSID601196232
    • 5-Hydroxy-7-methoxy-2-tritriacontylchromone
    • 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one, 9CI
    • 144049-68-3

  • Applications

    5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one (CAS 144049-68-3) is used primarily as a lipophilic scaffold and synthetic intermediate. In industry, it may serve as a building block in medicinal chemistry for exploring chromone-based derivatives; as a specialty additive in cosmetics and personal care where the long alkyl chain influences texture and slip; as a processing aid or plasticizer-like component in polymers and coatings to adjust hydrophobic properties; and in fragrance formulations, it could function as a fragrance ingredient or carrier. It is also evaluated as a lead intermediate for agrochemical discovery in research settings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.3
    methanol 50.13
    isopropanol 36.52
    water 4.17
    ethyl acetate 117.27
    n-propanol 55.69
    acetone 183.87
    n-butanol 42.23
    acetonitrile 77.7
    DMF 258.78
    toluene 74.46
    isobutanol 43.09
    1,4-dioxane 199.05
    methyl acetate 151.86
    THF 472.68
    2-butanone 173.43
    n-pentanol 30.51
    sec-butanol 45.25
    n-hexane 8.32
    ethylene glycol 10.82
    NMP 667.87
    cyclohexane 33.94
    DMSO 311.41
    n-butyl acetate 71.66
    n-octanol 19.65
    chloroform 697.94
    n-propyl acetate 90.71
    acetic acid 191.0
    dichloromethane 805.42
    cyclohexanone 396.42
    propylene glycol 17.2
    isopropyl acetate 78.17
    DMAc 435.86
    2-ethoxyethanol 69.39
    isopentanol 33.46
    n-heptane 6.3
    ethyl formate 92.3
    1,2-dichloroethane 440.69
    n-hexanol 18.81
    2-methoxyethanol 102.43
    isobutyl acetate 55.88
    tetrachloromethane 180.81
    n-pentyl acetate 117.67
    transcutol 171.79
    n-heptanol 23.5
    ethylbenzene 29.3
    MIBK 69.95
    2-propoxyethanol 58.73
    tert-butanol 37.12
    MTBE 51.57
    2-butoxyethanol 72.12
    propionic acid 121.46
    o-xylene 47.6
    formic acid 64.47
    diethyl ether 57.27
    m-xylene 37.96
    p-xylene 47.9
    chlorobenzene 145.47
    dimethyl carbonate 89.26
    n-octane 3.91
    formamide 130.16
    cyclopentanone 507.04
    2-pentanone 116.23
    anisole 53.13
    cyclopentyl methyl ether 174.12
    gamma-butyrolactone 596.31
    1-methoxy-2-propanol 73.08
    pyridine 270.42
    3-pentanone 128.6
    furfural 333.01
    n-dodecane 2.02
    diethylene glycol 30.93
    diisopropyl ether 17.78
    tert-amyl alcohol 44.48
    acetylacetone 190.78
    n-hexadecane 2.44
    acetophenone 90.27
    methyl propionate 139.12
    isopentyl acetate 68.35
    trichloroethylene 768.76
    n-nonanol 21.46
    cyclohexanol 92.97
    benzyl alcohol 52.55
    2-ethylhexanol 18.24
    isooctanol 23.59
    dipropyl ether 39.0
    1,2-dichlorobenzene 134.49
    ethyl lactate 43.75
    propylene carbonate 269.18
    n-methylformamide 154.78
    2-pentanol 27.8
    n-pentane 7.72
    1-propoxy-2-propanol 50.37
    1-methoxy-2-propyl acetate 83.31
    2-(2-methoxypropoxy) propanol 50.03
    mesitylene 23.0
    ε-caprolactone 334.36
    p-cymene 17.78
    epichlorohydrin 595.99
    1,1,1-trichloroethane 423.15
    2-aminoethanol 28.11
    morpholine-4-carbaldehyde 305.17
    sulfolane 889.14
    2,2,4-trimethylpentane 5.61
    2-methyltetrahydrofuran 275.61
    n-hexyl acetate 86.79
    isooctane 2.47
    2-(2-butoxyethoxy)ethanol 67.03
    sec-butyl acetate 60.61
    tert-butyl acetate 86.21
    decalin 10.49
    glycerin 30.41
    diglyme 187.12
    acrylic acid 113.89
    isopropyl myristate 24.79
    n-butyric acid 144.11
    acetyl acetate 111.85
    di(2-ethylhexyl) phthalate 32.58
    ethyl propionate 75.71
    nitromethane 366.96
    1,2-diethoxyethane 74.89
    benzonitrile 66.85
    trioctyl phosphate 22.25
    1-bromopropane 142.73
    gamma-valerolactone 593.43
    n-decanol 13.02
    triethyl phosphate 42.57
    4-methyl-2-pentanol 16.45
    propionitrile 62.12
    vinylene carbonate 241.1
    1,1,2-trichlorotrifluoroethane 370.98
    DMS 97.19
    cumene 18.91
    2-octanol 19.45
    2-hexanone 84.28
    octyl acetate 35.79
    limonene 29.9
    1,2-dimethoxyethane 125.82
    ethyl orthosilicate 39.52
    tributyl phosphate 30.48
    diacetone alcohol 90.09
    N,N-dimethylaniline 39.91
    acrylonitrile 85.95
    aniline 90.13
    1,3-propanediol 46.29
    bromobenzene 146.54
    dibromomethane 400.83
    1,1,2,2-tetrachloroethane 631.95
    2-methyl-cyclohexyl acetate 67.61
    tetrabutyl urea 43.42
    diisobutyl methanol 13.06
    2-phenylethanol 36.92
    styrene 35.82
    dioctyl adipate 52.53
    dimethyl sulfate 212.92
    ethyl butyrate 64.99
    methyl lactate 64.18
    butyl lactate 73.56
    diethyl carbonate 43.71
    propanediol butyl ether 43.88
    triethyl orthoformate 54.53
    p-tert-butyltoluene 16.61
    methyl 4-tert-butylbenzoate 92.85
    morpholine 249.27
    tert-butylamine 22.8
    n-dodecanol 8.44
    dimethoxymethane 133.56
    ethylene carbonate 208.09
    cyrene 92.62
    2-ethoxyethyl acetate 151.46
    2-ethylhexyl acetate 59.51
    1,2,4-trichlorobenzene 191.07
    4-methylpyridine 179.63
    dibutyl ether 36.09
    2,6-dimethyl-4-heptanol 13.06
    DEF 146.6
    dimethyl isosorbide 149.4
    tetrachloroethylene 437.66
    eugenol 71.96
    triacetin 122.5
    span 80 55.3
    1,4-butanediol 18.57
    1,1-dichloroethane 306.98
    2-methyl-1-pentanol 30.09
    methyl formate 131.77
    2-methyl-1-butanol 40.63
    n-decane 4.73
    butyronitrile 52.25
    3,7-dimethyl-1-octanol 17.86
    1-chlorooctane 23.24
    1-chlorotetradecane 6.89
    n-nonane 4.35
    undecane 2.91
    tert-butylcyclohexane 6.48
    cyclooctane 8.62
    cyclopentanol 131.88
    tetrahydropyran 234.43
    tert-amyl methyl ether 50.22
    2,5,8-trioxanonane 96.99
    1-hexene 22.35
    2-isopropoxyethanol 47.22
    2,2,2-trifluoroethanol 144.38
    methyl butyrate 109.38

    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