Hydroxymethoxyphenyl propylmethylmethoxybenzofuran

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  • Identifiers

    CAS number
    51267-48-2

    Molecular formula
    C20H24O4

    SMILES
    CCCC1=CC2=C(C(=C1)OC)O[C@@H]([C@H]2C)C3=CC(=C(C=C3)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 71.0%
    Phenolic 59.74%
    Vanilla 54.29%
    Smoky 47.59%
    Sweet 46.74%
    Balsamic 42.4%
    Woody 37.65%
    Clove 36.54%
    Powdery 33.95%
    Burnt 32.54%

     

    Flavor
    Bitter 67.49%
    Spice 31.29%
    Woody 24.23%
    Phenolic 23.59%
    Parsley 23.28%
    Eugenol 23.1%
    Bland 22.15%
    Camphor 21.68%
    Allspice 21.44%
    Cedarleaf 20.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.85 (neutral)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    496°C

    Flash point

    • 159.16 ˚C est.

  • Synonyms

    • Propylguaiacol-dimer
    • Hydroxymethoxyphenyl propylmethylmethoxybenzofuran
    • UNII-EZ6196NB0X
    • EZ6196NB0X
    • 51267-48-2
    • Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-propyl-2-benzofuranyl)-2-methoxy-,trans-
    • DTXSID60199267
    • RefChem:147214
    • DTXCID90121758
    • (+-)-HYDROXYMETHOXYPHENYL PROPYLMETHYLMETHOXYBENZOFURAN
    • HYDROXYMETHOXYPHENYL PROPYLMETHYLMETHOXYBENZOFURAN [INCI]
    • HYDROXYMETHOXYPHENYL PROPYLMETHYLMETHOXYBENZOFURAN, (+-)-
    • (+/-)-Hydroxymethoxyphenyl propylmethylmethoxybenzofuran
    • Hydroxymethoxyphenyl propylmethylmethoxybenzofuran, (+/-)-
    • SCHEMBL13293992
    • SCHEMBL31135286
    • Q27277439
    • 2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-2-yl]phenol
    • 51267-48-2

  • Applications

    Hydroxymethoxyphenyl propylmethylmethoxybenzofuran (CAS 51267-48-2) is primarily used as an odorant/fragrance ingredient in perfumery and cosmetics, and can serve as an intermediate in the synthesis of related fragrance compounds; it also finds use in household products (air fresheners, cleaners) to impart and modulate aroma; in industrial manufacturing it can act as an intermediate for the synthesis of benzofuran/aryl derivatives; in coatings and inks it may be added as a fragrance additive to tailor odor characteristics. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.54
    methanol 110.86
    isopropanol 65.97
    water 0.3
    ethyl acetate 206.26
    n-propanol 74.54
    acetone 223.78
    n-butanol 81.01
    acetonitrile 94.95
    DMF 146.68
    toluene 61.59
    isobutanol 56.72
    1,4-dioxane 264.27
    methyl acetate 153.38
    THF 374.88
    2-butanone 133.22
    n-pentanol 62.46
    sec-butanol 52.96
    n-hexane 2.38
    ethylene glycol 30.75
    NMP 81.87
    cyclohexane 9.06
    DMSO 172.03
    n-butyl acetate 108.66
    n-octanol 40.21
    chloroform 448.45
    n-propyl acetate 117.34
    acetic acid 187.46
    dichloromethane 473.67
    cyclohexanone 196.37
    propylene glycol 25.65
    isopropyl acetate 155.05
    DMAc 143.91
    2-ethoxyethanol 188.92
    isopentanol 91.47
    n-heptane 3.44
    ethyl formate 109.86
    1,2-dichloroethane 280.68
    n-hexanol 62.95
    2-methoxyethanol 243.09
    isobutyl acetate 104.48
    tetrachloromethane 51.15
    n-pentyl acetate 120.95
    transcutol 477.25
    n-heptanol 51.73
    ethylbenzene 36.21
    MIBK 109.06
    2-propoxyethanol 174.99
    tert-butanol 95.42
    MTBE 97.5
    2-butoxyethanol 139.44
    propionic acid 85.56
    o-xylene 39.68
    formic acid 67.16
    diethyl ether 122.95
    m-xylene 46.02
    p-xylene 49.69
    chlorobenzene 113.58
    dimethyl carbonate 116.05
    n-octane 3.85
    formamide 126.72
    cyclopentanone 215.82
    2-pentanone 139.35
    anisole 90.49
    cyclopentyl methyl ether 111.38
    gamma-butyrolactone 252.7
    1-methoxy-2-propanol 165.47
    pyridine 181.63
    3-pentanone 95.68
    furfural 233.27
    n-dodecane 4.11
    diethylene glycol 180.09
    diisopropyl ether 38.28
    tert-amyl alcohol 70.65
    acetylacetone 259.39
    n-hexadecane 4.72
    acetophenone 107.78
    methyl propionate 132.74
    isopentyl acetate 131.15
    trichloroethylene 493.64
    n-nonanol 43.33
    cyclohexanol 76.74
    benzyl alcohol 93.26
    2-ethylhexanol 42.13
    isooctanol 52.78
    dipropyl ether 44.12
    1,2-dichlorobenzene 117.06
    ethyl lactate 65.59
    propylene carbonate 153.79
    n-methylformamide 94.5
    2-pentanol 52.99
    n-pentane 2.82
    1-propoxy-2-propanol 99.78
    1-methoxy-2-propyl acetate 158.56
    2-(2-methoxypropoxy) propanol 117.85
    mesitylene 30.76
    ε-caprolactone 173.47
    p-cymene 29.83
    epichlorohydrin 353.47
    1,1,1-trichloroethane 186.19
    2-aminoethanol 48.25
    morpholine-4-carbaldehyde 188.47
    sulfolane 196.05
    2,2,4-trimethylpentane 4.36
    2-methyltetrahydrofuran 140.81
    n-hexyl acetate 114.28
    isooctane 3.8
    2-(2-butoxyethoxy)ethanol 170.48
    sec-butyl acetate 94.32
    tert-butyl acetate 164.77
    decalin 6.3
    glycerin 64.57
    diglyme 338.71
    acrylic acid 88.87
    isopropyl myristate 49.66
    n-butyric acid 157.16
    acetyl acetate 192.31
    di(2-ethylhexyl) phthalate 56.89
    ethyl propionate 92.33
    nitromethane 319.9
    1,2-diethoxyethane 165.83
    benzonitrile 112.08
    trioctyl phosphate 43.02
    1-bromopropane 86.05
    gamma-valerolactone 298.82
    n-decanol 32.67
    triethyl phosphate 56.15
    4-methyl-2-pentanol 46.46
    propionitrile 87.27
    vinylene carbonate 158.56
    1,1,2-trichlorotrifluoroethane 252.65
    DMS 127.57
    cumene 28.31
    2-octanol 37.57
    2-hexanone 89.4
    octyl acetate 62.08
    limonene 32.66
    1,2-dimethoxyethane 245.29
    ethyl orthosilicate 56.51
    tributyl phosphate 48.81
    diacetone alcohol 142.3
    N,N-dimethylaniline 54.47
    acrylonitrile 125.82
    aniline 82.15
    1,3-propanediol 116.76
    bromobenzene 123.78
    dibromomethane 233.5
    1,1,2,2-tetrachloroethane 323.88
    2-methyl-cyclohexyl acetate 87.46
    tetrabutyl urea 58.64
    diisobutyl methanol 33.36
    2-phenylethanol 101.39
    styrene 43.42
    dioctyl adipate 78.7
    dimethyl sulfate 134.13
    ethyl butyrate 74.23
    methyl lactate 75.99
    butyl lactate 82.05
    diethyl carbonate 70.01
    propanediol butyl ether 94.82
    triethyl orthoformate 69.92
    p-tert-butyltoluene 27.8
    methyl 4-tert-butylbenzoate 105.35
    morpholine 222.99
    tert-butylamine 43.22
    n-dodecanol 25.59
    dimethoxymethane 249.96
    ethylene carbonate 147.85
    cyrene 119.94
    2-ethoxyethyl acetate 187.08
    2-ethylhexyl acetate 93.08
    1,2,4-trichlorobenzene 126.99
    4-methylpyridine 134.86
    dibutyl ether 50.37
    2,6-dimethyl-4-heptanol 33.36
    DEF 120.6
    dimethyl isosorbide 190.52
    tetrachloroethylene 235.1
    eugenol 109.47
    triacetin 138.72
    span 80 89.24
    1,4-butanediol 48.43
    1,1-dichloroethane 181.48
    2-methyl-1-pentanol 74.57
    methyl formate 111.58
    2-methyl-1-butanol 70.09
    n-decane 6.52
    butyronitrile 87.48
    3,7-dimethyl-1-octanol 47.1
    1-chlorooctane 29.1
    1-chlorotetradecane 13.79
    n-nonane 5.25
    undecane 4.89
    tert-butylcyclohexane 5.47
    cyclooctane 3.52
    cyclopentanol 62.56
    tetrahydropyran 169.94
    tert-amyl methyl ether 63.96
    2,5,8-trioxanonane 230.98
    1-hexene 13.26
    2-isopropoxyethanol 140.03
    2,2,2-trifluoroethanol 88.28
    methyl butyrate 108.95

    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