Ethyl vanillyl alcohol

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  • Identifiers

    CAS number
    4912-58-7

    Molecular formula
    C9H12O3

    SMILES
    CCOC1=C(C=CC(=C1)CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 88.56%
    Sweet 81.38%
    Balsamic 62.17%
    Phenolic 61.75%
    Creamy 60.45%
    Powdery 51.32%
    Spicy 47.37%
    Smoky 44.13%
    Caramellic 38.08%
    Milky 38.07%

     

    Flavor
    Sweet 89.37%
    Vanilla 68.62%
    Powdery 51.99%
    Bitter 50.36%
    Creamy 46.4%
    Spicy 46.25%
    Smoky 44.69%
    Phenolic 44.67%
    Woody 43.05%
    Clove 38.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.58 (weak base)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 142.41 ˚C est.

    Solubility expt.

    • Soluble
    • Soluble (in ethanol)

  • Synonyms

    • 3-Ethoxy-4-hydroxybenzyl alcohol
    • 2-Ethoxy-4-(hydroxymethyl)phenol
    • 4912-58-7
    • Benzenemethanol, 3-ethoxy-4-hydroxy-
    • Ethyl vanillyl alcohol
    • WF0E3SL79L
    • FEMA NO. 4893
    • DTXSID50344547
    • RefChem:596437
    • DTXCID10295622
    • 674-192-5
    • MFCD00060359
    • UNII-WF0E3SL79L
    • SCHEMBL586875
    • SCHEMBL31412813
    • 3-ethoxy-4-hydroxybenzenemethanol
    • 2-Ethoxy-4-(hydroxymethyl)phenol #
    • STK512667
    • AKOS000249531
    • FE71062
    • SB85236
    • CS-0299301
    • ST51045475
    • EN300-1263453
    • 4912-58-7

  • Applications

    Ethyl vanillyl alcohol (CAS 4912-58-7) is primarily used as an aroma-related intermediate and fragrance ingredient, capable of serving as a precursor to vanilla-note compounds such as vanillin or vanillic acid in industrial synthesis. Typical use-cases include: 1) perfumery/fragrance for vanilla notes in fragrances and cosmetic products; 2) cosmetics/personal care as a scent additive for creams and shower gels; 3) flavor as a precursor for vanilla-like notes in food and beverage formulations (development stage and subject to regulation); 4) household products as a fragrance component in cleaners and detergents; 5) coatings/inks and polymer applications via fragrance microencapsulation or incorporation into polymer formulations; 6) industrial manufacturing as a building block for aroma-related chemical syntheses. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 682.57
    methanol 1200.63
    isopropanol 400.21
    water 3.99
    ethyl acetate 193.21
    n-propanol 352.04
    acetone 590.16
    n-butanol 215.95
    acetonitrile 367.02
    DMF 836.02
    toluene 30.29
    isobutanol 182.93
    1,4-dioxane 478.56
    methyl acetate 332.1
    THF 616.27
    2-butanone 273.49
    n-pentanol 145.2
    sec-butanol 222.78
    n-hexane 3.09
    ethylene glycol 378.18
    NMP 341.27
    cyclohexane 10.0
    DMSO 2137.89
    n-butyl acetate 158.43
    n-octanol 77.03
    chloroform 216.25
    n-propyl acetate 174.09
    acetic acid 519.2
    dichloromethane 425.75
    cyclohexanone 250.11
    propylene glycol 254.26
    isopropyl acetate 85.15
    DMAc 439.23
    2-ethoxyethanol 401.37
    isopentanol 140.68
    n-heptane 7.7
    ethyl formate 271.25
    1,2-dichloroethane 299.26
    n-hexanol 128.25
    2-methoxyethanol 686.99
    isobutyl acetate 79.78
    tetrachloromethane 28.78
    n-pentyl acetate 74.87
    transcutol 504.64
    n-heptanol 68.0
    ethylbenzene 30.7
    MIBK 90.72
    2-propoxyethanol 251.97
    tert-butanol 452.87
    MTBE 169.78
    2-butoxyethanol 138.37
    propionic acid 264.29
    o-xylene 36.63
    formic acid 342.24
    diethyl ether 134.93
    m-xylene 34.5
    p-xylene 41.19
    chlorobenzene 74.64
    dimethyl carbonate 105.01
    n-octane 4.66
    formamide 656.38
    cyclopentanone 378.53
    2-pentanone 160.94
    anisole 119.57
    cyclopentyl methyl ether 124.58
    gamma-butyrolactone 487.73
    1-methoxy-2-propanol 331.09
    pyridine 199.12
    3-pentanone 103.42
    furfural 384.33
    n-dodecane 5.49
    diethylene glycol 318.97
    diisopropyl ether 28.66
    tert-amyl alcohol 258.54
    acetylacetone 229.94
    n-hexadecane 6.05
    acetophenone 122.7
    methyl propionate 170.85
    isopentyl acetate 110.44
    trichloroethylene 395.98
    n-nonanol 63.85
    cyclohexanol 120.31
    benzyl alcohol 119.96
    2-ethylhexanol 71.99
    isooctanol 55.33
    dipropyl ether 70.97
    1,2-dichlorobenzene 82.46
    ethyl lactate 98.77
    propylene carbonate 226.3
    n-methylformamide 553.75
    2-pentanol 104.25
    n-pentane 4.2
    1-propoxy-2-propanol 162.43
    1-methoxy-2-propyl acetate 129.81
    2-(2-methoxypropoxy) propanol 129.46
    mesitylene 26.07
    ε-caprolactone 207.64
    p-cymene 31.37
    epichlorohydrin 493.79
    1,1,1-trichloroethane 125.56
    2-aminoethanol 403.87
    morpholine-4-carbaldehyde 389.17
    sulfolane 611.09
    2,2,4-trimethylpentane 5.99
    2-methyltetrahydrofuran 245.0
    n-hexyl acetate 111.25
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 182.02
    sec-butyl acetate 74.78
    tert-butyl acetate 102.74
    decalin 8.07
    glycerin 333.13
    diglyme 376.01
    acrylic acid 242.17
    isopropyl myristate 43.97
    n-butyric acid 233.52
    acetyl acetate 118.31
    di(2-ethylhexyl) phthalate 48.99
    ethyl propionate 104.92
    nitromethane 978.77
    1,2-diethoxyethane 144.33
    benzonitrile 129.27
    trioctyl phosphate 42.48
    1-bromopropane 84.62
    gamma-valerolactone 388.94
    n-decanol 49.22
    triethyl phosphate 56.29
    4-methyl-2-pentanol 55.07
    propionitrile 190.19
    vinylene carbonate 211.41
    1,1,2-trichlorotrifluoroethane 331.16
    DMS 97.95
    cumene 27.26
    2-octanol 46.58
    2-hexanone 129.78
    octyl acetate 60.0
    limonene 46.1
    1,2-dimethoxyethane 513.86
    ethyl orthosilicate 50.22
    tributyl phosphate 48.47
    diacetone alcohol 170.15
    N,N-dimethylaniline 78.4
    acrylonitrile 290.16
    aniline 89.1
    1,3-propanediol 405.97
    bromobenzene 65.05
    dibromomethane 207.97
    1,1,2,2-tetrachloroethane 263.44
    2-methyl-cyclohexyl acetate 76.57
    tetrabutyl urea 66.92
    diisobutyl methanol 44.35
    2-phenylethanol 99.09
    styrene 38.63
    dioctyl adipate 72.22
    dimethyl sulfate 191.85
    ethyl butyrate 106.32
    methyl lactate 132.08
    butyl lactate 81.29
    diethyl carbonate 82.34
    propanediol butyl ether 151.12
    triethyl orthoformate 68.16
    p-tert-butyltoluene 30.81
    methyl 4-tert-butylbenzoate 97.63
    morpholine 468.25
    tert-butylamine 167.2
    n-dodecanol 39.26
    dimethoxymethane 370.79
    ethylene carbonate 176.5
    cyrene 141.83
    2-ethoxyethyl acetate 111.09
    2-ethylhexyl acetate 76.64
    1,2,4-trichlorobenzene 100.01
    4-methylpyridine 149.23
    dibutyl ether 64.33
    2,6-dimethyl-4-heptanol 44.35
    DEF 211.15
    dimethyl isosorbide 177.52
    tetrachloroethylene 178.24
    eugenol 110.87
    triacetin 118.0
    span 80 100.9
    1,4-butanediol 191.51
    1,1-dichloroethane 174.99
    2-methyl-1-pentanol 104.94
    methyl formate 524.54
    2-methyl-1-butanol 131.51
    n-decane 7.7
    butyronitrile 161.97
    3,7-dimethyl-1-octanol 64.21
    1-chlorooctane 37.65
    1-chlorotetradecane 16.37
    n-nonane 6.92
    undecane 6.33
    tert-butylcyclohexane 7.4
    cyclooctane 4.29
    cyclopentanol 180.0
    tetrahydropyran 235.24
    tert-amyl methyl ether 98.66
    2,5,8-trioxanonane 238.76
    1-hexene 19.55
    2-isopropoxyethanol 211.9
    2,2,2-trifluoroethanol 169.66
    methyl butyrate 174.22

    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