Dehydroparadol

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  • Identifiers

    CAS number
    53172-10-4

    Molecular formula
    C17H24O3

    SMILES
    CCCCCCCC(=O)/C=C/C1=CC(=C(C=C1)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 57.78%
    Sweet 40.9%
    Balsamic 35.91%
    Vanilla 34.46%
    Warm 33.59%
    Fruity 31.4%
    Floral 29.06%
    Herbal 28.07%
    Creamy 27.44%
    Woody 27.29%

     

    Flavor
    Herbal 54.26%
    Spicy 36.74%
    Woody 35.65%
    Warm 27.6%
    Spice 22.81%
    Floral 22.19%
    Lovage 21.58%
    Oily 20.85%
    Celery 20.85%
    Outdoor 20.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    10.31 (weak base)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point

    • 167.34 ˚C est.

  • Synonyms

    • Dehydroparadol
    • 53172-10-4
    • RefChem:131548
    • (E)-[6]-Dehydroparadol
    • 878006-06-5
    • (E)-1-(4-hydroxy-3-methoxyphenyl)dec-1-en-3-one
    • 1-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (1E)-
    • MFCD18803626
    • (1E)-1-(4-HYDROXY-3-METHOXYPHENYL)DEC-1-EN-3-ONE
    • orb1708139
    • SCHEMBL2840282
    • 1-Decen-3-one,1-(4-hydroxy-3-methoxyphenyl)-,(1E)-
    • CHEMBL4093796
    • CS-M1954
    • AKOS032944911
    • DA-69158
    • HY-77293
    • MS-23931
    • F85592
    • 1-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
    • (e)-1-(4'-hydroxy-3'-methoxyphenyl)dec-1-en-3-one
    • (E)-1-(4-hydroxy-3-methoxy-phenyl)dec-1-en-3-one
    • (e)-1-(4'-hydroxy-3'-methoxyphenyl)-dec-1-en-3-one
    • 53172-10-4

  • Applications

    Dehydroparadol (CAS 53172-10-4) is primarily encountered as an aroma-related chemical, used in fragrance contexts and, to a lesser extent, as an intermediate in the synthesis of related aroma compounds. In perfumery and fragrance formulations, it may contribute distinctive odor notes suitable for high-end perfumes and scented personal care products. In cosmetics/personal care, it is used as a fragrance component within lotions, soaps, and other cosmetic formulations. In household products, it can serve as a fragrance additive in cleaners and detergents. In industrial manufacturing, it is often evaluated as a synthetic building block for further aroma chemical development, and it may also be used in coatings/inks as an odor-active additive where permitted. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1600.41
    methanol 1805.94
    isopropanol 786.61
    water 0.04
    ethyl acetate 2300.77
    n-propanol 997.28
    acetone 2631.41
    n-butanol 600.11
    acetonitrile 1322.65
    DMF 936.77
    toluene 270.49
    isobutanol 435.23
    1,4-dioxane 1326.87
    methyl acetate 1498.54
    THF 1811.13
    2-butanone 1413.63
    n-pentanol 303.32
    sec-butanol 571.97
    n-hexane 5.7
    ethylene glycol 75.24
    NMP 366.02
    cyclohexane 33.41
    DMSO 2504.6
    n-butyl acetate 488.33
    n-octanol 67.83
    chloroform 1323.75
    n-propyl acetate 625.21
    acetic acid 766.24
    dichloromethane 1749.14
    cyclohexanone 1078.65
    propylene glycol 216.07
    isopropyl acetate 781.42
    DMAc 788.05
    2-ethoxyethanol 712.28
    isopentanol 386.93
    n-heptane 4.94
    ethyl formate 491.57
    1,2-dichloroethane 1560.16
    n-hexanol 198.45
    2-methoxyethanol 1354.38
    isobutyl acetate 314.83
    tetrachloromethane 111.5
    n-pentyl acetate 239.45
    transcutol 1897.86
    n-heptanol 75.03
    ethylbenzene 97.54
    MIBK 411.08
    2-propoxyethanol 510.56
    tert-butanol 933.42
    MTBE 898.33
    2-butoxyethanol 223.16
    propionic acid 563.16
    o-xylene 119.23
    formic acid 150.38
    diethyl ether 1192.65
    m-xylene 132.35
    p-xylene 116.51
    chlorobenzene 330.82
    dimethyl carbonate 287.11
    n-octane 4.78
    formamide 433.66
    cyclopentanone 1225.93
    2-pentanone 1130.51
    anisole 297.04
    cyclopentyl methyl ether 566.39
    gamma-butyrolactone 1146.96
    1-methoxy-2-propanol 853.62
    pyridine 814.5
    3-pentanone 634.38
    furfural 653.05
    n-dodecane 5.62
    diethylene glycol 365.53
    diisopropyl ether 133.73
    tert-amyl alcohol 569.04
    acetylacetone 1136.23
    n-hexadecane 6.48
    acetophenone 285.36
    methyl propionate 1036.99
    isopentyl acetate 392.3
    trichloroethylene 1894.28
    n-nonanol 68.67
    cyclohexanol 427.17
    benzyl alcohol 246.17
    2-ethylhexanol 97.82
    isooctanol 72.21
    dipropyl ether 145.55
    1,2-dichlorobenzene 269.4
    ethyl lactate 170.81
    propylene carbonate 508.69
    n-methylformamide 557.89
    2-pentanol 325.17
    n-pentane 5.37
    1-propoxy-2-propanol 329.12
    1-methoxy-2-propyl acetate 465.55
    2-(2-methoxypropoxy) propanol 234.55
    mesitylene 74.31
    ε-caprolactone 791.17
    p-cymene 54.3
    epichlorohydrin 1650.58
    1,1,1-trichloroethane 889.94
    2-aminoethanol 276.67
    morpholine-4-carbaldehyde 578.26
    sulfolane 1006.44
    2,2,4-trimethylpentane 11.49
    2-methyltetrahydrofuran 975.51
    n-hexyl acetate 257.86
    isooctane 9.29
    2-(2-butoxyethoxy)ethanol 367.4
    sec-butyl acetate 369.07
    tert-butyl acetate 669.36
    decalin 17.58
    glycerin 229.21
    diglyme 788.03
    acrylic acid 314.62
    isopropyl myristate 89.86
    n-butyric acid 904.57
    acetyl acetate 715.54
    di(2-ethylhexyl) phthalate 85.89
    ethyl propionate 481.25
    nitromethane 1838.06
    1,2-diethoxyethane 586.11
    benzonitrile 289.86
    trioctyl phosphate 59.62
    1-bromopropane 618.58
    gamma-valerolactone 1198.48
    n-decanol 51.81
    triethyl phosphate 114.88
    4-methyl-2-pentanol 133.32
    propionitrile 658.62
    vinylene carbonate 407.47
    1,1,2-trichlorotrifluoroethane 667.59
    DMS 288.56
    cumene 59.01
    2-octanol 57.19
    2-hexanone 440.29
    octyl acetate 114.32
    limonene 79.51
    1,2-dimethoxyethane 940.3
    ethyl orthosilicate 108.39
    tributyl phosphate 85.36
    diacetone alcohol 573.59
    N,N-dimethylaniline 137.71
    acrylonitrile 748.98
    aniline 349.91
    1,3-propanediol 527.56
    bromobenzene 341.39
    dibromomethane 1062.19
    1,1,2,2-tetrachloroethane 1416.55
    2-methyl-cyclohexyl acetate 175.67
    tetrabutyl urea 106.19
    diisobutyl methanol 74.59
    2-phenylethanol 205.85
    styrene 145.63
    dioctyl adipate 149.07
    dimethyl sulfate 348.15
    ethyl butyrate 297.29
    methyl lactate 252.04
    butyl lactate 171.32
    diethyl carbonate 204.78
    propanediol butyl ether 202.89
    triethyl orthoformate 167.31
    p-tert-butyltoluene 53.25
    methyl 4-tert-butylbenzoate 195.73
    morpholine 1673.65
    tert-butylamine 339.15
    n-dodecanol 41.06
    dimethoxymethane 1001.65
    ethylene carbonate 393.43
    cyrene 197.67
    2-ethoxyethyl acetate 432.72
    2-ethylhexyl acetate 261.48
    1,2,4-trichlorobenzene 311.3
    4-methylpyridine 621.59
    dibutyl ether 139.91
    2,6-dimethyl-4-heptanol 74.59
    DEF 692.35
    dimethyl isosorbide 383.85
    tetrachloroethylene 729.46
    eugenol 197.02
    triacetin 285.35
    span 80 179.63
    1,4-butanediol 157.86
    1,1-dichloroethane 1313.23
    2-methyl-1-pentanol 239.87
    methyl formate 406.88
    2-methyl-1-butanol 338.62
    n-decane 8.63
    butyronitrile 565.41
    3,7-dimethyl-1-octanol 94.46
    1-chlorooctane 56.32
    1-chlorotetradecane 22.94
    n-nonane 7.41
    undecane 6.67
    tert-butylcyclohexane 15.77
    cyclooctane 6.75
    cyclopentanol 347.85
    tetrahydropyran 1463.81
    tert-amyl methyl ether 414.86
    2,5,8-trioxanonane 480.86
    1-hexene 67.49
    2-isopropoxyethanol 425.45
    2,2,2-trifluoroethanol 160.74
    methyl butyrate 639.97

    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