Homovanillyl alcohol

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  • Identifiers

    CAS number
    2380-78-1

    Molecular formula
    C9H12O3

    SMILES
    COC1=C(C=CC(=C1)CCO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 79.65%
    Vanilla 78.45%
    Balsamic 58.72%
    Phenolic 56.83%
    Spicy 48.98%
    Floral 48.63%
    Creamy 47.63%
    Powdery 47.23%
    Smoky 38.34%
    Fruity 34.36%

     

    Flavor
    Sweet 86.3%
    Vanilla 57.5%
    Spicy 49.8%
    Powdery 47.27%
    Phenolic 45.53%
    Woody 43.76%
    Bitter 41.76%
    Smoky 41.07%
    Creamy 40.3%
    Floral 40.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    9.29 (weak base)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Melting point expt.

    • 40 - 42 °C

    Flash point

    • 148.9 ˚C est.

  • Synonyms

    • Homovanillyl alcohol
    • 2380-78-1
    • 4-(2-Hydroxyethyl)-2-methoxyphenol
    • 3-METHOXY-4-HYDROXYPHENYLETHANOL
    • Benzeneethanol, 4-hydroxy-3-methoxy-
    • MOPET
    • 9A7EE8MS6A
    • DTXSID40178494
    • MHPE
    • RefChem:788469
    • Hydroxymethoxyphenethyl Alcohol
    • Alcohol, Hydroxymethoxyphenethyl
    • 3 Methoxy 4 hydroxyphenylethanol
    • DTXCID70100985
    • 219-175-1
    • Methoxyhydroxyphenylethanol
    • 4-Hydroxy-3-methoxyphenethanol
    • Vanillylmethanol
    • Guaiacyl ethanol
    • 4-(2-Hydroxyethyl)guaiacol
    • 4-Hydroxy-3-methoxyphenethyl alcohol
    • 4-Hydroxy-3-methoxyphenylethyl alcohol
    • (4-Hydroxy-3-methoxyphenyl)ethanol
    • 2-(4-Guaiacyl)-ethanol
    • 2-(4-Hydroxy-3-methoxyphenyl)-ethanol
    • Homovanillin alcohol
    • 4-(2-hydroxyethyl)-2-methoxy-phenol
    • UNII-9A7EE8MS6A
    • 4-Hydroxy-3-methoxybenzeneethanol
    • EINECS 219-175-1
    • Homovanilline alcohol
    • MFCD00002903
    • Homovanillyl alcohol, 99%
    • SCHEMBL43681
    • orb1297337
    • CHEMBL3747068
    • SCHEMBL30045575
    • XHUBSJRBOQIZNI-UHFFFAOYSA-
    • 3-methoxy-4-hydroxy phenylethanol
    • CHEBI:173769
    • 4-Hydroxy-3-methoxy-Benzeneethanol
    • HY-N7513
    • MFCD0002903
    • AKOS003382015
    • CCG-356420
    • EBC-616274
    • FH66260
    • FS-3438
    • 4-(2-Hydroxyethyl)-2-methoxyphenol #
    • ST088597
    • DB-046251
    • CS-0131118
    • NS00027490
    • D95086
    • EN300-1250800
    • 380H781
    • Q5891855
    • InChI=1/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
    • VTL
    • 2380-78-1

  • Applications

    Homovanillyl alcohol (CAS 2380-78-1) is primarily used as an intermediate in fragrance chemistry, serving as a building block for vanillyl- and related aroma compounds; it may be used in cosmetics and personal care as a fragrance ingredient or precursor. It is also evaluated as a chemical building block for specialty polymers and resins in industrial manufacturing. In addition, it can function as an intermediate in organic synthesis for pharmaceutical ingredients and other fine chemicals. In the flavor sector, it may be explored as a precursor to aroma-active compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 540.51
    methanol 942.84
    isopropanol 290.38
    water 6.08
    ethyl acetate 155.05
    n-propanol 326.37
    acetone 430.22
    n-butanol 182.28
    acetonitrile 232.56
    DMF 843.34
    toluene 12.64
    isobutanol 145.36
    1,4-dioxane 438.69
    methyl acetate 224.67
    THF 491.99
    2-butanone 180.21
    n-pentanol 105.97
    sec-butanol 159.13
    n-hexane 2.09
    ethylene glycol 465.05
    NMP 389.53
    cyclohexane 5.5
    DMSO 2502.57
    n-butyl acetate 87.84
    n-octanol 45.04
    chloroform 114.66
    n-propyl acetate 109.95
    acetic acid 519.08
    dichloromethane 187.49
    cyclohexanone 222.65
    propylene glycol 296.21
    isopropyl acetate 58.5
    DMAc 335.43
    2-ethoxyethanol 376.82
    isopentanol 112.29
    n-heptane 3.88
    ethyl formate 177.19
    1,2-dichloroethane 175.65
    n-hexanol 93.88
    2-methoxyethanol 759.26
    isobutyl acetate 45.08
    tetrachloromethane 24.85
    n-pentyl acetate 41.28
    transcutol 480.01
    n-heptanol 44.66
    ethylbenzene 12.89
    MIBK 67.21
    2-propoxyethanol 211.23
    tert-butanol 370.63
    MTBE 103.07
    2-butoxyethanol 106.7
    propionic acid 283.68
    o-xylene 20.39
    formic acid 530.79
    diethyl ether 91.63
    m-xylene 17.36
    p-xylene 15.07
    chlorobenzene 38.94
    dimethyl carbonate 89.6
    n-octane 1.97
    formamide 903.11
    cyclopentanone 364.96
    2-pentanone 126.69
    anisole 73.18
    cyclopentyl methyl ether 116.98
    gamma-butyrolactone 503.13
    1-methoxy-2-propanol 332.6
    pyridine 130.85
    3-pentanone 72.82
    furfural 328.39
    n-dodecane 2.15
    diethylene glycol 324.9
    diisopropyl ether 17.5
    tert-amyl alcohol 195.34
    acetylacetone 179.8
    n-hexadecane 2.4
    acetophenone 82.72
    methyl propionate 150.83
    isopentyl acetate 64.67
    trichloroethylene 236.0
    n-nonanol 37.84
    cyclohexanol 115.72
    benzyl alcohol 79.44
    2-ethylhexanol 47.62
    isooctanol 36.16
    dipropyl ether 39.48
    1,2-dichlorobenzene 49.85
    ethyl lactate 83.73
    propylene carbonate 180.46
    n-methylformamide 633.31
    2-pentanol 79.26
    n-pentane 2.45
    1-propoxy-2-propanol 124.86
    1-methoxy-2-propyl acetate 96.73
    2-(2-methoxypropoxy) propanol 103.99
    mesitylene 14.55
    ε-caprolactone 181.42
    p-cymene 17.32
    epichlorohydrin 435.68
    1,1,1-trichloroethane 78.66
    2-aminoethanol 468.52
    morpholine-4-carbaldehyde 382.59
    sulfolane 672.41
    2,2,4-trimethylpentane 3.47
    2-methyltetrahydrofuran 217.1
    n-hexyl acetate 62.51
    isooctane 2.75
    2-(2-butoxyethoxy)ethanol 146.35
    sec-butyl acetate 44.39
    tert-butyl acetate 77.05
    decalin 4.11
    glycerin 411.79
    diglyme 298.59
    acrylic acid 283.18
    isopropyl myristate 24.44
    n-butyric acid 218.18
    acetyl acetate 80.84
    di(2-ethylhexyl) phthalate 33.49
    ethyl propionate 75.41
    nitromethane 923.46
    1,2-diethoxyethane 87.82
    benzonitrile 74.92
    trioctyl phosphate 28.46
    1-bromopropane 40.37
    gamma-valerolactone 401.77
    n-decanol 29.07
    triethyl phosphate 40.19
    4-methyl-2-pentanol 41.07
    propionitrile 128.12
    vinylene carbonate 159.75
    1,1,2-trichlorotrifluoroethane 343.57
    DMS 66.98
    cumene 13.52
    2-octanol 27.04
    2-hexanone 82.34
    octyl acetate 34.56
    limonene 26.24
    1,2-dimethoxyethane 413.59
    ethyl orthosilicate 34.71
    tributyl phosphate 31.45
    diacetone alcohol 158.55
    N,N-dimethylaniline 50.49
    acrylonitrile 215.47
    aniline 65.4
    1,3-propanediol 462.87
    bromobenzene 28.65
    dibromomethane 92.92
    1,1,2,2-tetrachloroethane 179.55
    2-methyl-cyclohexyl acetate 52.63
    tetrabutyl urea 42.6
    diisobutyl methanol 27.83
    2-phenylethanol 68.7
    styrene 15.9
    dioctyl adipate 44.48
    dimethyl sulfate 193.46
    ethyl butyrate 61.17
    methyl lactate 136.89
    butyl lactate 54.71
    diethyl carbonate 48.22
    propanediol butyl ether 116.14
    triethyl orthoformate 44.97
    p-tert-butyltoluene 17.27
    methyl 4-tert-butylbenzoate 75.33
    morpholine 508.6
    tert-butylamine 117.11
    n-dodecanol 22.08
    dimethoxymethane 316.23
    ethylene carbonate 134.49
    cyrene 125.73
    2-ethoxyethyl acetate 73.44
    2-ethylhexyl acetate 45.23
    1,2,4-trichlorobenzene 64.75
    4-methylpyridine 90.03
    dibutyl ether 31.67
    2,6-dimethyl-4-heptanol 27.83
    DEF 171.45
    dimethyl isosorbide 150.26
    tetrachloroethylene 126.56
    eugenol 81.09
    triacetin 82.12
    span 80 81.12
    1,4-butanediol 178.92
    1,1-dichloroethane 85.16
    2-methyl-1-pentanol 72.8
    methyl formate 474.16
    2-methyl-1-butanol 102.28
    n-decane 3.34
    butyronitrile 103.62
    3,7-dimethyl-1-octanol 40.07
    1-chlorooctane 18.28
    1-chlorotetradecane 7.43
    n-nonane 3.06
    undecane 2.62
    tert-butylcyclohexane 3.94
    cyclooctane 2.43
    cyclopentanol 174.98
    tetrahydropyran 201.53
    tert-amyl methyl ether 66.88
    2,5,8-trioxanonane 195.67
    1-hexene 10.18
    2-isopropoxyethanol 173.74
    2,2,2-trifluoroethanol 203.8
    methyl butyrate 124.01

    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