3,5-Octanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate

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  • Identifiers

    CAS number
    53254-50-5

    Molecular formula
    C19H28O6

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 60.32%
    Sweet 44.26%
    Balsamic 34.03%
    Odorless 33.98%
    Vanilla 32.71%
    Spicy 31.22%
    Fresh 28.36%
    Powdery 26.19%
    Jasmin 23.04%
    Creamy 22.67%

     

    Flavor
    Fruity 58.2%
    Sweet 42.47%
    Woody 42.44%
    Floral 37.02%
    Herbal 34.39%
    Tropical 31.6%
    Bitter 30.15%
    Mild 28.9%
    Spicy 24.98%
    Fresh 23.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.99 (neutral)

    Molecular weight
    352.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Flash point

    • 173.5 ˚C est.

  • Synonyms

    • DTXSID701181941
    • 3,5-Octanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate
    • 53254-50-5
    • RefChem:1065958
    • DTXCID801613274
    • Diacetoxy-4-gingerdiol
    • [4]-Gingerdiol 3,5-diacetate
    • 863780-88-5
    • [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
    • 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate
    • [4]-Gingerdiacetate
    • 5-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)octan-3-yl acetate
    • orb1992508
    • AUBPDZJRJKZQEX-UHFFFAOYSA-N
    • CHEBI:172578
    • AKOS040734216
    • FS-7704
    • 53254-50-5

  • Applications

    3,5-Octanediol, 1-(4-hydroxy-3-methoxyphenyl)-, 3,5-diacetate (CAS 53254-50-5) is primarily used as a fragrance ingredient and intermediate in perfumery, serving as an aroma compound or precursor for more complex scent formulations; in cosmetics and personal care, it is employed as a fragrance component within formulations such as lotions and perfumes; in household products, it contributes to the scent profile of detergents, cleaners, and air-freshening products; in industrial manufacturing, it functions as a building block or intermediate in fragrance chemistry and related polymer or coating formulations where aroma-active esters are required. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.69
    methanol 339.17
    isopropanol 106.84
    water 0.64
    ethyl acetate 144.43
    n-propanol 117.29
    acetone 485.29
    n-butanol 75.23
    acetonitrile 145.0
    DMF 566.32
    toluene 30.66
    isobutanol 78.59
    1,4-dioxane 242.34
    methyl acetate 151.25
    THF 617.18
    2-butanone 164.07
    n-pentanol 72.45
    sec-butanol 80.78
    n-hexane 1.96
    ethylene glycol 35.15
    NMP 489.69
    cyclohexane 2.6
    DMSO 1154.25
    n-butyl acetate 50.75
    n-octanol 22.82
    chloroform 280.48
    n-propyl acetate 69.18
    acetic acid 428.8
    dichloromethane 366.91
    cyclohexanone 270.01
    propylene glycol 60.71
    isopropyl acetate 83.61
    DMAc 704.2
    2-ethoxyethanol 197.16
    isopentanol 61.49
    n-heptane 0.89
    ethyl formate 77.88
    1,2-dichloroethane 219.32
    n-hexanol 32.28
    2-methoxyethanol 325.23
    isobutyl acetate 46.57
    tetrachloromethane 19.13
    n-pentyl acetate 40.07
    transcutol 364.17
    n-heptanol 19.39
    ethylbenzene 20.13
    MIBK 78.97
    2-propoxyethanol 137.65
    tert-butanol 143.23
    MTBE 71.23
    2-butoxyethanol 66.4
    propionic acid 150.7
    o-xylene 24.3
    formic acid 159.26
    diethyl ether 67.49
    m-xylene 20.68
    p-xylene 29.91
    chlorobenzene 66.92
    dimethyl carbonate 87.16
    n-octane 0.86
    formamide 224.13
    cyclopentanone 388.61
    2-pentanone 133.91
    anisole 70.28
    cyclopentyl methyl ether 124.82
    gamma-butyrolactone 465.35
    1-methoxy-2-propanol 208.3
    pyridine 136.06
    3-pentanone 104.0
    furfural 274.42
    n-dodecane 1.18
    diethylene glycol 134.62
    diisopropyl ether 14.01
    tert-amyl alcohol 93.44
    acetylacetone 246.36
    n-hexadecane 1.37
    acetophenone 93.08
    methyl propionate 143.62
    isopentyl acetate 53.31
    trichloroethylene 374.41
    n-nonanol 23.14
    cyclohexanol 83.24
    benzyl alcohol 76.8
    2-ethylhexanol 20.59
    isooctanol 18.24
    dipropyl ether 27.85
    1,2-dichlorobenzene 68.29
    ethyl lactate 55.78
    propylene carbonate 179.79
    n-methylformamide 206.68
    2-pentanol 36.94
    n-pentane 1.13
    1-propoxy-2-propanol 79.72
    1-methoxy-2-propyl acetate 90.38
    2-(2-methoxypropoxy) propanol 97.52
    mesitylene 12.72
    ε-caprolactone 212.91
    p-cymene 12.23
    epichlorohydrin 427.8
    1,1,1-trichloroethane 124.03
    2-aminoethanol 88.13
    morpholine-4-carbaldehyde 351.91
    sulfolane 566.52
    2,2,4-trimethylpentane 1.87
    2-methyltetrahydrofuran 210.08
    n-hexyl acetate 61.93
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 111.96
    sec-butyl acetate 45.19
    tert-butyl acetate 91.16
    decalin 3.29
    glycerin 110.78
    diglyme 223.91
    acrylic acid 139.01
    isopropyl myristate 24.84
    n-butyric acid 149.5
    acetyl acetate 117.92
    di(2-ethylhexyl) phthalate 38.26
    ethyl propionate 71.91
    nitromethane 625.11
    1,2-diethoxyethane 83.08
    benzonitrile 69.36
    trioctyl phosphate 23.14
    1-bromopropane 69.35
    gamma-valerolactone 463.19
    n-decanol 16.88
    triethyl phosphate 41.53
    4-methyl-2-pentanol 23.6
    propionitrile 81.69
    vinylene carbonate 161.71
    1,1,2-trichlorotrifluoroethane 259.02
    DMS 84.76
    cumene 15.99
    2-octanol 14.19
    2-hexanone 76.32
    octyl acetate 34.37
    limonene 17.6
    1,2-dimethoxyethane 291.11
    ethyl orthosilicate 37.65
    tributyl phosphate 32.64
    diacetone alcohol 125.4
    N,N-dimethylaniline 50.02
    acrylonitrile 114.52
    aniline 66.49
    1,3-propanediol 121.32
    bromobenzene 58.81
    dibromomethane 186.15
    1,1,2,2-tetrachloroethane 280.17
    2-methyl-cyclohexyl acetate 55.18
    tetrabutyl urea 46.28
    diisobutyl methanol 13.98
    2-phenylethanol 51.3
    styrene 25.62
    dioctyl adipate 51.26
    dimethyl sulfate 204.12
    ethyl butyrate 51.51
    methyl lactate 89.96
    butyl lactate 47.79
    diethyl carbonate 43.77
    propanediol butyl ether 71.53
    triethyl orthoformate 44.76
    p-tert-butyltoluene 11.1
    methyl 4-tert-butylbenzoate 81.35
    morpholine 307.37
    tert-butylamine 44.3
    n-dodecanol 12.55
    dimethoxymethane 318.86
    ethylene carbonate 130.72
    cyrene 123.65
    2-ethoxyethyl acetate 77.98
    2-ethylhexyl acetate 39.73
    1,2,4-trichlorobenzene 88.89
    4-methylpyridine 140.09
    dibutyl ether 30.47
    2,6-dimethyl-4-heptanol 13.98
    DEF 165.13
    dimethyl isosorbide 167.12
    tetrachloroethylene 139.21
    eugenol 70.63
    triacetin 106.03
    span 80 71.91
    1,4-butanediol 64.31
    1,1-dichloroethane 157.0
    2-methyl-1-pentanol 60.92
    methyl formate 174.5
    2-methyl-1-butanol 63.77
    n-decane 2.02
    butyronitrile 70.95
    3,7-dimethyl-1-octanol 23.73
    1-chlorooctane 12.49
    1-chlorotetradecane 5.36
    n-nonane 1.68
    undecane 1.51
    tert-butylcyclohexane 2.65
    cyclooctane 0.89
    cyclopentanol 115.81
    tetrahydropyran 169.68
    tert-amyl methyl ether 56.18
    2,5,8-trioxanonane 165.69
    1-hexene 12.6
    2-isopropoxyethanol 115.06
    2,2,2-trifluoroethanol 132.74
    methyl butyrate 90.8

    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