Gentisyl Alcohol

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  • Identifiers

    CAS number
    495-08-9

    Molecular formula
    C7H8O3

    SMILES
    C1=CC(=C(C=C1O)CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 74.79%
    Sweet 57.05%
    Vanilla 52.7%
    Medicinal 43.72%
    Balsamic 37.19%
    Smoky 35.63%
    Bitter 34.65%
    Burnt 34.16%
    Creamy 33.35%
    Odorless 33.22%

     

    Flavor
    Bitter 61.9%
    Phenolic 48.28%
    Mild 42.9%
    Sweet 41.26%
    Creamy 29.19%
    Fruity 28.85%
    Odorless 28.46%
    Vanilla 28.0%
    Almond 25.9%
    Powdery 25.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    10.42 (weak base)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 171.65 ˚C est.

  • Synonyms

    • Gentisyl alcohol
    • 2-(hydroxymethyl)benzene-1,4-diol
    • 2,5-Dihydroxybenzyl alcohol
    • 495-08-9
    • Salirepol
    • 3,6-Dihydroxybenzyl alcohol
    • 2-(hydroxymethyl)-1,4-benzenediol
    • gentisin alcohol
    • T8T2WY38GH
    • 1,4-Benzenediol, 2-(hydroxymethyl)-
    • CHEBI:5325
    • DTXSID60197804
    • BE-53594B
    • RefChem:639845
    • DTXCID80120295
    • 864-080-6
    • MFCD06202616
    • 2,5-Dihydroxybenzyl alcohol; Gentisyl alcohol; Salirepol; Gentisin alcohol
    • UNII-T8T2WY38GH
    • GENTISYL ALCOHOL [MI]
    • SCHEMBL829492
    • CHEMBL448800
    • orb3023167
    • SCHEMBL7670934
    • PUZSUVGRVHEUQO-UHFFFAOYSA-
    • 2-(hydroxymethyl)-benzene-1,4-diol
    • AKOS006293496
    • BS-1180
    • DB-226854
    • CS-0378114
    • NS00094930
    • E88042
    • EN300-1843206
    • F761163
    • Q27106721
    • InChI=1/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2
    • 495-08-9

  • Applications

    Gentisyl Alcohol (CAS 495-08-9) is a phenolic compound bearing two hydroxy groups on the benzene ring and a benzyl alcohol moiety; in industry it is primarily used as an intermediate in the synthesis of fragrance materials and as an odorant or fragrance ingredient in perfumery and cosmetics; it is also commonly evaluated as a building block for other aroma compounds and may be employed in the production of polymer and coating additives that carry fragrance or aroma-related functionality; additional potential uses include incorporation into cleaning formulations as a fragrance component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.74
    methanol 94.23
    isopropanol 45.58
    water 15.71
    ethyl acetate 31.47
    n-propanol 41.07
    acetone 62.09
    n-butanol 41.24
    acetonitrile 16.69
    DMF 276.29
    toluene 1.45
    isobutanol 27.25
    1,4-dioxane 88.3
    methyl acetate 36.34
    THF 674.97
    2-butanone 39.18
    n-pentanol 34.33
    sec-butanol 33.8
    n-hexane 0.7
    ethylene glycol 89.38
    NMP 88.59
    cyclohexane 0.32
    DMSO 415.12
    n-butyl acetate 23.31
    n-octanol 26.09
    chloroform 4.66
    n-propyl acetate 27.01
    acetic acid 50.05
    dichloromethane 3.44
    cyclohexanone 37.2
    propylene glycol 36.37
    isopropyl acetate 27.31
    DMAc 220.46
    2-ethoxyethanol 138.85
    isopentanol 43.47
    n-heptane 2.12
    ethyl formate 30.44
    1,2-dichloroethane 6.43
    n-hexanol 53.24
    2-methoxyethanol 193.96
    isobutyl acetate 13.07
    tetrachloromethane 6.13
    n-pentyl acetate 18.11
    transcutol 63.79
    n-heptanol 36.98
    ethylbenzene 3.01
    MIBK 41.61
    2-propoxyethanol 132.14
    tert-butanol 125.18
    MTBE 40.52
    2-butoxyethanol 73.47
    propionic acid 31.67
    o-xylene 3.45
    formic acid 100.24
    diethyl ether 16.57
    m-xylene 4.51
    p-xylene 3.42
    chlorobenzene 2.32
    dimethyl carbonate 34.91
    n-octane 1.24
    formamide 138.89
    cyclopentanone 125.62
    2-pentanone 46.13
    anisole 23.2
    cyclopentyl methyl ether 56.96
    gamma-butyrolactone 136.04
    1-methoxy-2-propanol 127.27
    pyridine 12.29
    3-pentanone 19.73
    furfural 67.41
    n-dodecane 1.24
    diethylene glycol 158.89
    diisopropyl ether 9.55
    tert-amyl alcohol 78.23
    acetylacetone 68.6
    n-hexadecane 1.33
    acetophenone 24.06
    methyl propionate 37.69
    isopentyl acetate 21.13
    trichloroethylene 12.73
    n-nonanol 24.36
    cyclohexanol 19.79
    benzyl alcohol 20.88
    2-ethylhexanol 26.29
    isooctanol 28.63
    dipropyl ether 23.89
    1,2-dichlorobenzene 4.67
    ethyl lactate 29.39
    propylene carbonate 43.17
    n-methylformamide 120.19
    2-pentanol 28.1
    n-pentane 0.45
    1-propoxy-2-propanol 73.29
    1-methoxy-2-propyl acetate 41.98
    2-(2-methoxypropoxy) propanol 48.46
    mesitylene 4.68
    ε-caprolactone 36.4
    p-cymene 6.08
    epichlorohydrin 116.28
    1,1,1-trichloroethane 9.18
    2-aminoethanol 95.17
    morpholine-4-carbaldehyde 117.48
    sulfolane 162.7
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 106.11
    n-hexyl acetate 22.74
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 64.38
    sec-butyl acetate 17.03
    tert-butyl acetate 45.11
    decalin 0.87
    glycerin 110.2
    diglyme 115.26
    acrylic acid 29.4
    isopropyl myristate 12.32
    n-butyric acid 41.41
    acetyl acetate 19.44
    di(2-ethylhexyl) phthalate 12.61
    ethyl propionate 26.13
    nitromethane 112.36
    1,2-diethoxyethane 22.11
    benzonitrile 11.55
    trioctyl phosphate 13.98
    1-bromopropane 2.48
    gamma-valerolactone 108.99
    n-decanol 18.99
    triethyl phosphate 17.34
    4-methyl-2-pentanol 26.75
    propionitrile 15.7
    vinylene carbonate 27.22
    1,1,2-trichlorotrifluoroethane 84.11
    DMS 15.31
    cumene 4.17
    2-octanol 20.21
    2-hexanone 31.78
    octyl acetate 16.76
    limonene 8.13
    1,2-dimethoxyethane 163.57
    ethyl orthosilicate 16.02
    tributyl phosphate 12.1
    diacetone alcohol 95.51
    N,N-dimethylaniline 19.91
    acrylonitrile 24.17
    aniline 7.14
    1,3-propanediol 113.6
    bromobenzene 1.55
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 14.75
    2-methyl-cyclohexyl acetate 19.52
    tetrabutyl urea 19.43
    diisobutyl methanol 18.68
    2-phenylethanol 29.12
    styrene 2.31
    dioctyl adipate 17.0
    dimethyl sulfate 79.22
    ethyl butyrate 23.43
    methyl lactate 47.0
    butyl lactate 19.68
    diethyl carbonate 15.82
    propanediol butyl ether 40.47
    triethyl orthoformate 17.65
    p-tert-butyltoluene 6.96
    methyl 4-tert-butylbenzoate 35.86
    morpholine 105.51
    tert-butylamine 40.01
    n-dodecanol 14.56
    dimethoxymethane 149.68
    ethylene carbonate 23.66
    cyrene 57.4
    2-ethoxyethyl acetate 23.0
    2-ethylhexyl acetate 13.99
    1,2,4-trichlorobenzene 5.72
    4-methylpyridine 13.33
    dibutyl ether 12.45
    2,6-dimethyl-4-heptanol 18.68
    DEF 60.63
    dimethyl isosorbide 79.05
    tetrachloroethylene 14.29
    eugenol 39.43
    triacetin 19.31
    span 80 33.7
    1,4-butanediol 59.56
    1,1-dichloroethane 4.7
    2-methyl-1-pentanol 31.86
    methyl formate 85.65
    2-methyl-1-butanol 31.62
    n-decane 1.9
    butyronitrile 18.24
    3,7-dimethyl-1-octanol 21.17
    1-chlorooctane 7.58
    1-chlorotetradecane 3.47
    n-nonane 1.65
    undecane 1.52
    tert-butylcyclohexane 1.4
    cyclooctane 0.39
    cyclopentanol 50.99
    tetrahydropyran 33.52
    tert-amyl methyl ether 31.89
    2,5,8-trioxanonane 91.36
    1-hexene 2.79
    2-isopropoxyethanol 85.18
    2,2,2-trifluoroethanol 50.47
    methyl butyrate 36.9

    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