1'-Hydroxymethyleugenol

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  • Identifiers

    CAS number
    31706-95-3

    Molecular formula
    C11H14O3

    SMILES
    COC1=C(C=C(C=C1)C(C=C)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 72.73%
    Vanilla 67.28%
    Floral 48.6%
    Spicy 47.6%
    Creamy 40.55%
    Balsamic 39.16%
    Powdery 36.04%
    Warm 31.73%
    Woody 30.64%
    Anisic 30.06%

     

    Flavor
    Sweet 52.9%
    Fruity 40.08%
    Bitter 38.09%
    Woody 34.56%
    Floral 33.73%
    Vanilla 31.75%
    Spicy 30.45%
    Powdery 28.71%
    Creamy 28.39%
    Spice 23.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.3 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 123.95 ˚C est.

  • Synonyms

    • 1'-Hydroxymethyleugenol
    • 31706-95-3
    • Benzenemethanol, alpha-ethenyl-3,4-dimethoxy-
    • 1'-(hydroxymethyl)eugenol
    • UNII-DA6575YC8S
    • BRN 1963718
    • alpha-Ethenyl-3,4-dimethoxybenzenemethanol
    • Veratryl alcohol, alpha-vinyl-
    • VERATRYL ALCOHOL, .ALPHA.-VINYL-
    • 2-(3,4-DIMETHOXYPHENYL)ALLYL ALCOHOL
    • 1-(3,4-DIMETHOXYPHENYL)-2-PROPEN-1-OL
    • .ALPHA.-ETHENYL-3,4-DIMETHOXYBENZENEMETHANOL
    • BENZENEMETHANOL, .ALPHA.-ETHENYL-3,4-DIMETHOXY-
    • RefChem:70677
    • 1'-HYDROXYMETHYLEUGENOL, (+-)-
    • Veratryl alcohol, alpha-vinyl-(6CI,8CI)
    • 1-(3,4-dimethoxyphenyl)prop-2-en-1-ol
    • DA6575YC8S
    • SCHEMBL3733650
    • SCHEMBL17371411
    • DTXSID20953660
    • GBA70695
    • MFCD00871518
    • AKOS012403469
    • SY503809
    • 1'-HYDROXYMETHYLEUGENOL, (+/-)-
    • 1-(3,4-Dimethoxy-phenyl)-prop-2-en-1-ol
    • CS-0237360
    • NS00116156
    • EN300-1826887
    • Q27276301
    • 31706-95-3

  • Applications

    1'-Hydroxymethyleugenol (CAS 31706-95-3) is typically viewed as a synthetic intermediate in fragrance chemistry and may function as an odorant or fixative in fragrance formulations. In commercial applications, it is commonly evaluated for use as a fragrance ingredient in perfumery and in cosmetics/personal care as a precursor to other aroma compounds. It may also be incorporated into household products and air fresheners to impart or extend scent. Additionally, it can serve as a chemical intermediate for polymer, coating, or ink formulations to introduce aroma in industrial materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 83.99
    methanol 105.81
    isopropanol 57.35
    water 0.94
    ethyl acetate 247.74
    n-propanol 81.26
    acetone 280.95
    n-butanol 63.69
    acetonitrile 204.66
    DMF 340.38
    toluene 39.31
    isobutanol 51.28
    1,4-dioxane 344.15
    methyl acetate 249.22
    THF 424.3
    2-butanone 182.23
    n-pentanol 54.95
    sec-butanol 62.17
    n-hexane 6.86
    ethylene glycol 62.9
    NMP 265.75
    cyclohexane 23.86
    DMSO 629.46
    n-butyl acetate 140.23
    n-octanol 35.47
    chloroform 420.38
    n-propyl acetate 160.22
    acetic acid 280.3
    dichloromethane 533.8
    cyclohexanone 259.19
    propylene glycol 45.41
    isopropyl acetate 108.7
    DMAc 232.95
    2-ethoxyethanol 213.87
    isopentanol 63.23
    n-heptane 9.52
    ethyl formate 172.15
    1,2-dichloroethane 413.38
    n-hexanol 63.92
    2-methoxyethanol 262.72
    isobutyl acetate 80.8
    tetrachloromethane 73.49
    n-pentyl acetate 73.14
    transcutol 409.6
    n-heptanol 35.82
    ethylbenzene 38.06
    MIBK 86.81
    2-propoxyethanol 142.55
    tert-butanol 137.64
    MTBE 129.58
    2-butoxyethanol 87.34
    propionic acid 146.12
    o-xylene 45.87
    formic acid 118.01
    diethyl ether 158.34
    m-xylene 38.61
    p-xylene 47.58
    chlorobenzene 110.56
    dimethyl carbonate 120.59
    n-octane 5.18
    formamide 276.55
    cyclopentanone 355.15
    2-pentanone 139.42
    anisole 118.86
    cyclopentyl methyl ether 148.87
    gamma-butyrolactone 505.17
    1-methoxy-2-propanol 143.0
    pyridine 184.31
    3-pentanone 123.65
    furfural 376.53
    n-dodecane 4.43
    diethylene glycol 142.33
    diisopropyl ether 41.42
    tert-amyl alcohol 111.25
    acetylacetone 215.44
    n-hexadecane 5.18
    acetophenone 128.05
    methyl propionate 184.93
    isopentyl acetate 113.55
    trichloroethylene 621.64
    n-nonanol 34.38
    cyclohexanol 89.94
    benzyl alcohol 90.43
    2-ethylhexanol 51.38
    isooctanol 33.34
    dipropyl ether 67.33
    1,2-dichlorobenzene 128.34
    ethyl lactate 79.5
    propylene carbonate 237.99
    n-methylformamide 209.34
    2-pentanol 47.27
    n-pentane 7.51
    1-propoxy-2-propanol 95.31
    1-methoxy-2-propyl acetate 129.49
    2-(2-methoxypropoxy) propanol 96.28
    mesitylene 33.49
    ε-caprolactone 233.59
    p-cymene 36.38
    epichlorohydrin 495.29
    1,1,1-trichloroethane 256.1
    2-aminoethanol 77.86
    morpholine-4-carbaldehyde 292.34
    sulfolane 534.4
    2,2,4-trimethylpentane 8.72
    2-methyltetrahydrofuran 229.87
    n-hexyl acetate 89.89
    isooctane 5.89
    2-(2-butoxyethoxy)ethanol 120.96
    sec-butyl acetate 85.7
    tert-butyl acetate 133.64
    decalin 14.42
    glycerin 92.02
    diglyme 285.54
    acrylic acid 162.31
    isopropyl myristate 39.11
    n-butyric acid 157.07
    acetyl acetate 167.92
    di(2-ethylhexyl) phthalate 39.54
    ethyl propionate 122.39
    nitromethane 608.36
    1,2-diethoxyethane 134.8
    benzonitrile 110.23
    trioctyl phosphate 31.42
    1-bromopropane 125.31
    gamma-valerolactone 382.25
    n-decanol 26.63
    triethyl phosphate 71.33
    4-methyl-2-pentanol 32.57
    propionitrile 134.96
    vinylene carbonate 228.17
    1,1,2-trichlorotrifluoroethane 323.84
    DMS 121.78
    cumene 33.92
    2-octanol 25.98
    2-hexanone 111.96
    octyl acetate 47.21
    limonene 52.95
    1,2-dimethoxyethane 312.05
    ethyl orthosilicate 64.98
    tributyl phosphate 41.23
    diacetone alcohol 131.3
    N,N-dimethylaniline 82.24
    acrylonitrile 194.92
    aniline 82.45
    1,3-propanediol 102.24
    bromobenzene 105.34
    dibromomethane 320.85
    1,1,2,2-tetrachloroethane 424.18
    2-methyl-cyclohexyl acetate 90.79
    tetrabutyl urea 52.53
    diisobutyl methanol 34.66
    2-phenylethanol 83.48
    styrene 50.31
    dioctyl adipate 63.49
    dimethyl sulfate 203.05
    ethyl butyrate 111.35
    methyl lactate 93.9
    butyl lactate 58.09
    diethyl carbonate 94.06
    propanediol butyl ether 74.66
    triethyl orthoformate 83.95
    p-tert-butyltoluene 34.7
    methyl 4-tert-butylbenzoate 96.38
    morpholine 330.78
    tert-butylamine 66.13
    n-dodecanol 21.35
    dimethoxymethane 253.55
    ethylene carbonate 192.77
    cyrene 127.4
    2-ethoxyethyl acetate 117.17
    2-ethylhexyl acetate 91.39
    1,2,4-trichlorobenzene 149.25
    4-methylpyridine 128.06
    dibutyl ether 54.77
    2,6-dimethyl-4-heptanol 34.66
    DEF 166.39
    dimethyl isosorbide 183.93
    tetrachloroethylene 313.96
    eugenol 88.3
    triacetin 120.68
    span 80 68.87
    1,4-butanediol 48.03
    1,1-dichloroethane 236.25
    2-methyl-1-pentanol 59.63
    methyl formate 239.89
    2-methyl-1-butanol 59.72
    n-decane 7.25
    butyronitrile 103.35
    3,7-dimethyl-1-octanol 38.39
    1-chlorooctane 31.87
    1-chlorotetradecane 14.19
    n-nonane 6.8
    undecane 5.5
    tert-butylcyclohexane 11.35
    cyclooctane 9.18
    cyclopentanol 106.49
    tetrahydropyran 231.15
    tert-amyl methyl ether 94.36
    2,5,8-trioxanonane 176.67
    1-hexene 25.53
    2-isopropoxyethanol 129.98
    2,2,2-trifluoroethanol 138.48
    methyl butyrate 163.61

    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