(1E,4E)-1-(4-Hydroxy-3-methoxyphenyl)deca-1,4-dien-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    212137-55-8

    Molecular formula
    C17H22O3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 58.47%
    Sweet 42.76%
    Fruity 38.46%
    Balsamic 35.51%
    Warm 33.11%
    Herbal 31.45%
    Vanilla 29.64%
    Woody 28.82%
    Floral 28.66%
    Metallic 26.99%

     

    Flavor
    Herbal 40.94%
    Spicy 36.05%
    Woody 28.98%
    Bitter 27.91%
    Sweet 26.75%
    Warm 24.97%
    Fruity 21.94%
    Spice 21.61%
    Lovage 21.22%
    Floral 21.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.1 (weak base)

    Molecular weight
    274.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 175.31 ˚C est.

  • Synonyms

    • [6]-Dehydroshogaol
    • (1E,4E)-1-(4-Hydroxy-3-methoxyphenyl)deca-1,4-dien-3-one
    • (1E,4E)-1-(4'-hydroxy-3'-methoxyphenyl)-deca-1,4-dien-3-one
    • dehydro 6-shogaol
    • CHEMBL3745730
    • SCHEMBL17527415
    • DTXSID30873729
    • CHEBI:174624
    • (1E, 4E)-1-(4'-hydroxy-3'-methoxyphenyl)-deca-1,4-dien-3-one
    • 212137-55-8
    • 212137-55-8

  • Applications

    Applications for (1E,4E)-1-(4-Hydroxy-3-methoxyphenyl)deca-1,4-dien-3-one include serving as a building block or intermediate in organic synthesis for pharmaceuticals and other specialty chemicals; it may be considered as a fragrance ingredient or odorant precursor for perfumery. It can be used in cosmetics and personal care formulations as a fragrance component or functional additive; as a precursor in polymer and plastics chemistry to enable conjugated structures or materials with distinct properties. It may also serve as a dye or pigment precursor for coatings and inks. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1053.25
    methanol 1180.64
    isopropanol 481.6
    water 0.03
    ethyl acetate 1468.01
    n-propanol 679.44
    acetone 1473.21
    n-butanol 410.2
    acetonitrile 693.1
    DMF 573.31
    toluene 259.31
    isobutanol 287.45
    1,4-dioxane 921.18
    methyl acetate 999.67
    THF 1420.66
    2-butanone 961.59
    n-pentanol 219.1
    sec-butanol 427.89
    n-hexane 5.25
    ethylene glycol 65.16
    NMP 243.94
    cyclohexane 24.57
    DMSO 1638.25
    n-butyl acetate 324.98
    n-octanol 46.29
    chloroform 944.86
    n-propyl acetate 383.63
    acetic acid 512.8
    dichloromethane 1282.14
    cyclohexanone 688.98
    propylene glycol 189.83
    isopropyl acetate 499.35
    DMAc 581.06
    2-ethoxyethanol 505.29
    isopentanol 253.79
    n-heptane 4.58
    ethyl formate 297.68
    1,2-dichloroethane 1159.21
    n-hexanol 156.97
    2-methoxyethanol 1031.07
    isobutyl acetate 201.85
    tetrachloromethane 73.33
    n-pentyl acetate 145.64
    transcutol 1416.46
    n-heptanol 55.68
    ethylbenzene 77.93
    MIBK 278.46
    2-propoxyethanol 384.39
    tert-butanol 614.02
    MTBE 587.09
    2-butoxyethanol 159.89
    propionic acid 378.86
    o-xylene 95.53
    formic acid 109.89
    diethyl ether 832.38
    m-xylene 111.69
    p-xylene 85.79
    chlorobenzene 250.01
    dimethyl carbonate 228.81
    n-octane 3.9
    formamide 303.06
    cyclopentanone 819.05
    2-pentanone 742.82
    anisole 228.94
    cyclopentyl methyl ether 430.43
    gamma-butyrolactone 778.32
    1-methoxy-2-propanol 643.41
    pyridine 613.59
    3-pentanone 477.09
    furfural 447.53
    n-dodecane 4.72
    diethylene glycol 291.52
    diisopropyl ether 99.93
    tert-amyl alcohol 406.66
    acetylacetone 762.74
    n-hexadecane 5.37
    acetophenone 212.04
    methyl propionate 752.88
    isopentyl acetate 269.2
    trichloroethylene 1412.57
    n-nonanol 47.23
    cyclohexanol 312.53
    benzyl alcohol 193.93
    2-ethylhexanol 74.65
    isooctanol 52.25
    dipropyl ether 107.03
    1,2-dichlorobenzene 193.96
    ethyl lactate 124.85
    propylene carbonate 337.74
    n-methylformamide 365.24
    2-pentanol 246.71
    n-pentane 5.47
    1-propoxy-2-propanol 242.0
    1-methoxy-2-propyl acetate 347.05
    2-(2-methoxypropoxy) propanol 184.9
    mesitylene 58.26
    ε-caprolactone 504.12
    p-cymene 41.26
    epichlorohydrin 1196.06
    1,1,1-trichloroethane 617.11
    2-aminoethanol 219.22
    morpholine-4-carbaldehyde 411.11
    sulfolane 705.19
    2,2,4-trimethylpentane 10.12
    2-methyltetrahydrofuran 754.35
    n-hexyl acetate 163.28
    isooctane 7.86
    2-(2-butoxyethoxy)ethanol 273.31
    sec-butyl acetate 244.72
    tert-butyl acetate 458.35
    decalin 14.05
    glycerin 195.15
    diglyme 552.33
    acrylic acid 229.49
    isopropyl myristate 64.28
    n-butyric acid 558.29
    acetyl acetate 461.63
    di(2-ethylhexyl) phthalate 63.6
    ethyl propionate 312.07
    nitromethane 1148.81
    1,2-diethoxyethane 435.37
    benzonitrile 203.42
    trioctyl phosphate 43.48
    1-bromopropane 484.19
    gamma-valerolactone 786.04
    n-decanol 37.8
    triethyl phosphate 86.07
    4-methyl-2-pentanol 98.78
    propionitrile 419.4
    vinylene carbonate 265.53
    1,1,2-trichlorotrifluoroethane 482.86
    DMS 209.88
    cumene 45.98
    2-octanol 39.76
    2-hexanone 285.38
    octyl acetate 79.31
    limonene 59.34
    1,2-dimethoxyethane 639.11
    ethyl orthosilicate 81.74
    tributyl phosphate 61.04
    diacetone alcohol 415.6
    N,N-dimethylaniline 106.49
    acrylonitrile 486.23
    aniline 303.26
    1,3-propanediol 375.17
    bromobenzene 262.3
    dibromomethane 799.42
    1,1,2,2-tetrachloroethane 1039.39
    2-methyl-cyclohexyl acetate 125.19
    tetrabutyl urea 79.8
    diisobutyl methanol 57.26
    2-phenylethanol 162.32
    styrene 114.8
    dioctyl adipate 108.27
    dimethyl sulfate 261.19
    ethyl butyrate 202.48
    methyl lactate 201.55
    butyl lactate 112.32
    diethyl carbonate 141.17
    propanediol butyl ether 143.1
    triethyl orthoformate 120.65
    p-tert-butyltoluene 40.96
    methyl 4-tert-butylbenzoate 141.96
    morpholine 1194.26
    tert-butylamine 230.92
    n-dodecanol 31.07
    dimethoxymethane 781.66
    ethylene carbonate 245.85
    cyrene 154.21
    2-ethoxyethyl acetate 295.16
    2-ethylhexyl acetate 180.71
    1,2,4-trichlorobenzene 232.26
    4-methylpyridine 459.32
    dibutyl ether 94.25
    2,6-dimethyl-4-heptanol 57.26
    DEF 478.34
    dimethyl isosorbide 292.73
    tetrachloroethylene 524.07
    eugenol 146.46
    triacetin 192.03
    span 80 133.65
    1,4-butanediol 116.67
    1,1-dichloroethane 937.7
    2-methyl-1-pentanol 180.98
    methyl formate 269.08
    2-methyl-1-butanol 245.29
    n-decane 6.63
    butyronitrile 352.27
    3,7-dimethyl-1-octanol 67.05
    1-chlorooctane 39.75
    1-chlorotetradecane 17.98
    n-nonane 5.65
    undecane 5.41
    tert-butylcyclohexane 12.78
    cyclooctane 5.75
    cyclopentanol 243.8
    tetrahydropyran 1025.05
    tert-amyl methyl ether 313.52
    2,5,8-trioxanonane 357.81
    1-hexene 51.52
    2-isopropoxyethanol 302.91
    2,2,2-trifluoroethanol 105.35
    methyl butyrate 383.19

    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