1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione

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  • Identifiers

    CAS number
    91815-31-5

    Molecular formula
    C23H36O4

    SMILES
    CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 38.17%
    Odorless 31.62%
    Waxy 30.06%
    Woody 29.92%
    Fatty 29.32%
    Milky 28.46%
    Savory 28.02%
    Sweet 27.03%
    Warm 25.26%
    Animal 25.13%

     

    Flavor
    Herbal 42.44%
    Woody 36.06%
    Oily 28.02%
    Mild 27.67%
    Bland 27.22%
    Spicy 25.8%
    Odorless 24.9%
    Warm 22.95%
    Fatty 22.71%
    Waxy 22.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    9.89 (weak base)

    Molecular weight
    376.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    551°C

    Melting point expt.

    • 44 - 45 °C

    Flash point

    • 196.21 ˚C est.

  • Synonyms

    • DTXSID501233764
    • 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione
    • 91815-31-5
    • RefChem:1054397
    • DTXCID901664963
    • [12]-Gingerdione
    • 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione
    • 12-gingerdione
    • SCHEMBL30555668
    • CHEBI:179572
    • SRGFWRMSKPVJOD-UHFFFAOYSA-N
    • 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 9CI
    • 91815-31-5

  • Applications

    1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione (CAS 91815-31-5) is used as a synthetic intermediate and fragrance-related chemical; in perfumery it functions as a fragrance intermediate or scent precursor, contributing to specific aroma notes. In cosmetics and personal care, it may be used as a fragrance ingredient or formulation additive. In flavor and aroma applications, it may be evaluated for use in aroma formulations under regulatory oversight. In industrial manufacturing, it can serve as a building block in organic synthesis for specialty chemicals, including potential roles in pharmaceutical and agrochemical research. In the polymer and coating sectors, it may be used as a building block or additive to support material properties or to generate more complex derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 214.77
    methanol 330.73
    isopropanol 143.62
    water 0.11
    ethyl acetate 324.6
    n-propanol 176.02
    acetone 868.82
    n-butanol 120.63
    acetonitrile 202.77
    DMF 542.87
    toluene 57.14
    isobutanol 108.61
    1,4-dioxane 416.34
    methyl acetate 281.19
    THF 1127.48
    2-butanone 428.75
    n-pentanol 87.33
    sec-butanol 118.59
    n-hexane 1.41
    ethylene glycol 16.58
    NMP 396.63
    cyclohexane 9.84
    DMSO 1614.28
    n-butyl acetate 126.0
    n-octanol 35.0
    chloroform 591.47
    n-propyl acetate 205.13
    acetic acid 307.43
    dichloromethane 729.39
    cyclohexanone 678.3
    propylene glycol 47.32
    isopropyl acetate 192.01
    DMAc 728.34
    2-ethoxyethanol 242.69
    isopentanol 104.6
    n-heptane 1.46
    ethyl formate 178.3
    1,2-dichloroethane 582.22
    n-hexanol 45.32
    2-methoxyethanol 379.34
    isobutyl acetate 109.93
    tetrachloromethane 66.92
    n-pentyl acetate 146.3
    transcutol 671.54
    n-heptanol 39.31
    ethylbenzene 31.43
    MIBK 172.45
    2-propoxyethanol 167.1
    tert-butanol 192.43
    MTBE 146.81
    2-butoxyethanol 139.54
    propionic acid 186.85
    o-xylene 38.57
    formic acid 69.46
    diethyl ether 105.72
    m-xylene 31.76
    p-xylene 47.29
    chlorobenzene 130.0
    dimethyl carbonate 98.84
    n-octane 1.54
    formamide 187.93
    cyclopentanone 881.82
    2-pentanone 321.82
    anisole 106.68
    cyclopentyl methyl ether 204.17
    gamma-butyrolactone 716.38
    1-methoxy-2-propanol 258.05
    pyridine 329.02
    3-pentanone 194.71
    furfural 399.77
    n-dodecane 1.77
    diethylene glycol 103.39
    diisopropyl ether 22.77
    tert-amyl alcohol 138.88
    acetylacetone 518.89
    n-hexadecane 2.11
    acetophenone 145.2
    methyl propionate 227.27
    isopentyl acetate 123.62
    trichloroethylene 835.71
    n-nonanol 35.54
    cyclohexanol 150.13
    benzyl alcohol 102.44
    2-ethylhexanol 33.14
    isooctanol 38.73
    dipropyl ether 40.82
    1,2-dichlorobenzene 133.96
    ethyl lactate 84.13
    propylene carbonate 285.46
    n-methylformamide 236.11
    2-pentanol 54.69
    n-pentane 1.1
    1-propoxy-2-propanol 114.26
    1-methoxy-2-propyl acetate 169.95
    2-(2-methoxypropoxy) propanol 119.24
    mesitylene 19.64
    ε-caprolactone 488.33
    p-cymene 19.24
    epichlorohydrin 823.95
    1,1,1-trichloroethane 372.24
    2-aminoethanol 65.23
    morpholine-4-carbaldehyde 367.72
    sulfolane 887.09
    2,2,4-trimethylpentane 2.67
    2-methyltetrahydrofuran 421.08
    n-hexyl acetate 135.88
    isooctane 1.53
    2-(2-butoxyethoxy)ethanol 175.44
    sec-butyl acetate 118.02
    tert-butyl acetate 215.46
    decalin 5.28
    glycerin 69.71
    diglyme 439.02
    acrylic acid 133.19
    isopropyl myristate 43.04
    n-butyric acid 307.51
    acetyl acetate 195.23
    di(2-ethylhexyl) phthalate 50.31
    ethyl propionate 147.02
    nitromethane 787.88
    1,2-diethoxyethane 172.68
    benzonitrile 122.59
    trioctyl phosphate 34.86
    1-bromopropane 150.01
    gamma-valerolactone 912.39
    n-decanol 23.59
    triethyl phosphate 59.83
    4-methyl-2-pentanol 36.84
    propionitrile 137.19
    vinylene carbonate 232.28
    1,1,2-trichlorotrifluoroethane 431.21
    DMS 130.53
    cumene 20.65
    2-octanol 29.05
    2-hexanone 187.15
    octyl acetate 59.18
    limonene 30.4
    1,2-dimethoxyethane 426.16
    ethyl orthosilicate 56.42
    tributyl phosphate 46.34
    diacetone alcohol 253.83
    N,N-dimethylaniline 60.75
    acrylonitrile 178.07
    aniline 100.43
    1,3-propanediol 138.71
    bromobenzene 123.5
    dibromomethane 364.68
    1,1,2,2-tetrachloroethane 705.82
    2-methyl-cyclohexyl acetate 91.46
    tetrabutyl urea 66.27
    diisobutyl methanol 22.99
    2-phenylethanol 74.14
    styrene 42.99
    dioctyl adipate 88.97
    dimethyl sulfate 208.74
    ethyl butyrate 105.02
    methyl lactate 106.73
    butyl lactate 115.15
    diethyl carbonate 74.28
    propanediol butyl ether 112.75
    triethyl orthoformate 76.7
    p-tert-butyltoluene 17.49
    methyl 4-tert-butylbenzoate 126.7
    morpholine 567.04
    tert-butylamine 61.71
    n-dodecanol 16.26
    dimethoxymethane 326.33
    ethylene carbonate 227.76
    cyrene 140.07
    2-ethoxyethyl acetate 225.84
    2-ethylhexyl acetate 87.3
    1,2,4-trichlorobenzene 158.45
    4-methylpyridine 232.66
    dibutyl ether 57.88
    2,6-dimethyl-4-heptanol 22.99
    DEF 277.79
    dimethyl isosorbide 236.38
    tetrachloroethylene 383.23
    eugenol 118.97
    triacetin 191.86
    span 80 101.92
    1,4-butanediol 51.87
    1,1-dichloroethane 385.06
    2-methyl-1-pentanol 77.65
    methyl formate 188.16
    2-methyl-1-butanol 98.36
    n-decane 3.46
    butyronitrile 144.43
    3,7-dimethyl-1-octanol 38.3
    1-chlorooctane 26.0
    1-chlorotetradecane 8.3
    n-nonane 2.8
    undecane 2.33
    tert-butylcyclohexane 4.03
    cyclooctane 1.73
    cyclopentanol 185.9
    tetrahydropyran 461.61
    tert-amyl methyl ether 90.5
    2,5,8-trioxanonane 247.19
    1-hexene 13.77
    2-isopropoxyethanol 147.49
    2,2,2-trifluoroethanol 111.3
    methyl butyrate 234.06

    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