3-Hydroxyphenethyl alcohol

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  • Identifiers

    CAS number
    13398-94-2

    Molecular formula
    C8H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 73.63%
    Sweet 67.72%
    Fruity 60.33%
    Rose 50.43%
    Phenolic 48.9%
    Honey 41.11%
    Balsamic 37.77%
    Animal 34.64%
    Powdery 31.77%
    Woody 30.38%

     

    Flavor
    Sweet 71.54%
    Fruity 62.88%
    Floral 56.75%
    Mild 42.97%
    Bitter 38.33%
    Phenolic 35.66%
    Spicy 32.03%
    Powdery 31.35%
    Flower 29.08%
    Musty 29.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    9.46 (weak base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 151.29 ˚C est.

  • Synonyms

    • 3-Hydroxyphenethyl alcohol
    • 2D3F6MU88Z
    • EINECS 236-485-2
    • NSC-101846
    • DTXSID40158438
    • NSC 101846
    • RefChem:502585
    • DTXCID8080929
    • 236-485-2
    • 3-(2-Hydroxyethyl)phenol
    • 13398-94-2
    • 2-(3-Hydroxyphenyl)ethanol
    • Benzeneethanol, 3-hydroxy-
    • 3-Hydroxybenzeneethanol
    • 3-Hydroxyphenethylalcohol
    • MFCD00002895
    • Phenethyl alcohol, m-hydroxy-
    • m-Hydroxyphenethyl alcohol
    • m-Phenethyl alcohol
    • 3-(2-Hydroxy-ethyl)-phenol
    • UNII-2D3F6MU88Z
    • 2-(3-HYDROXYPHENYL)ETHYL ALCOHOL
    • 2-(3-hydroxyphenyl)-ethanol
    • CHEMBL54498
    • SCHEMBL351675
    • orb3029100
    • SCHEMBL2642541
    • SCHEMBL10460435
    • SCHEMBL10461755
    • SCHEMBL10462575
    • SCHEMBL10770554
    • SCHEMBL28099212
    • SCHEMBL30430665
    • WLZ4020
    • 2-(3-Hydroxyphenyl)ethanol, 99%
    • NSC101846
    • AKOS009156879
    • FH70448
    • DS-16080
    • SY011808
    • DB-004186
    • CS-0171132
    • NS00024318
    • ST51038046
    • EN300-103529
    • F092020
    • Q27254583
    • InChI=1/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H
    • 13398-94-2

  • Applications

    3-Hydroxyphenethyl alcohol (CAS 13398-94-2) is commonly used as a fragrance ingredient and fragrance intermediate in the perfume and personal care industries, providing a scent-building block for complex aroma formulations. It is also employed as a raw material in the synthesis of other organic compounds for pharmaceutical and industrial chemicals. In materials production, it can serve as a precursor for polymers, coatings, and related resin systems, and it is sometimes used in household cleaning formulations to contribute fragrance. Given its dual alcohol functionalities, it is frequently evaluated as a starting point for further chemical transformations and intermediates, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 539.69
    methanol 610.57
    isopropanol 335.93
    water 9.68
    ethyl acetate 121.09
    n-propanol 308.64
    acetone 366.62
    n-butanol 222.47
    acetonitrile 195.91
    DMF 829.25
    toluene 11.02
    isobutanol 175.88
    1,4-dioxane 475.69
    methyl acetate 126.67
    THF 621.42
    2-butanone 129.5
    n-pentanol 116.25
    sec-butanol 146.2
    n-hexane 3.26
    ethylene glycol 355.47
    NMP 355.22
    cyclohexane 4.9
    DMSO 1530.7
    n-butyl acetate 75.0
    n-octanol 73.36
    chloroform 44.76
    n-propyl acetate 69.75
    acetic acid 418.02
    dichloromethane 73.73
    cyclohexanone 185.24
    propylene glycol 284.38
    isopropyl acetate 62.22
    DMAc 289.36
    2-ethoxyethanol 240.28
    isopentanol 129.03
    n-heptane 10.87
    ethyl formate 113.78
    1,2-dichloroethane 57.69
    n-hexanol 149.31
    2-methoxyethanol 577.71
    isobutyl acetate 43.08
    tetrachloromethane 10.94
    n-pentyl acetate 43.97
    transcutol 458.88
    n-heptanol 76.17
    ethylbenzene 9.59
    MIBK 79.43
    2-propoxyethanol 285.13
    tert-butanol 304.87
    MTBE 83.73
    2-butoxyethanol 131.8
    propionic acid 233.63
    o-xylene 15.15
    formic acid 228.46
    diethyl ether 96.38
    m-xylene 18.68
    p-xylene 12.04
    chlorobenzene 21.73
    dimethyl carbonate 88.34
    n-octane 4.17
    formamide 328.13
    cyclopentanone 333.47
    2-pentanone 132.13
    anisole 56.35
    cyclopentyl methyl ether 129.74
    gamma-butyrolactone 440.17
    1-methoxy-2-propanol 379.34
    pyridine 85.0
    3-pentanone 71.32
    furfural 226.77
    n-dodecane 4.91
    diethylene glycol 329.32
    diisopropyl ether 25.13
    tert-amyl alcohol 130.98
    acetylacetone 169.08
    n-hexadecane 5.27
    acetophenone 56.66
    methyl propionate 132.73
    isopentyl acetate 60.13
    trichloroethylene 86.21
    n-nonanol 65.08
    cyclohexanol 105.42
    benzyl alcohol 63.76
    2-ethylhexanol 68.87
    isooctanol 57.69
    dipropyl ether 85.27
    1,2-dichlorobenzene 25.38
    ethyl lactate 70.69
    propylene carbonate 170.65
    n-methylformamide 420.63
    2-pentanol 106.95
    n-pentane 4.23
    1-propoxy-2-propanol 185.82
    1-methoxy-2-propyl acetate 105.13
    2-(2-methoxypropoxy) propanol 124.57
    mesitylene 16.73
    ε-caprolactone 149.62
    p-cymene 18.76
    epichlorohydrin 313.16
    1,1,1-trichloroethane 38.73
    2-aminoethanol 401.75
    morpholine-4-carbaldehyde 371.02
    sulfolane 524.35
    2,2,4-trimethylpentane 4.0
    2-methyltetrahydrofuran 226.06
    n-hexyl acetate 74.16
    isooctane 5.17
    2-(2-butoxyethoxy)ethanol 177.92
    sec-butyl acetate 36.73
    tert-butyl acetate 75.71
    decalin 4.35
    glycerin 389.56
    diglyme 308.05
    acrylic acid 220.64
    isopropyl myristate 40.07
    n-butyric acid 242.67
    acetyl acetate 81.31
    di(2-ethylhexyl) phthalate 44.05
    ethyl propionate 60.88
    nitromethane 584.41
    1,2-diethoxyethane 94.36
    benzonitrile 53.27
    trioctyl phosphate 40.43
    1-bromopropane 25.25
    gamma-valerolactone 375.89
    n-decanol 52.54
    triethyl phosphate 37.65
    4-methyl-2-pentanol 58.88
    propionitrile 105.2
    vinylene carbonate 126.2
    1,1,2-trichlorotrifluoroethane 203.46
    DMS 63.54
    cumene 12.25
    2-octanol 42.72
    2-hexanone 71.66
    octyl acetate 52.65
    limonene 30.83
    1,2-dimethoxyethane 298.08
    ethyl orthosilicate 34.14
    tributyl phosphate 39.97
    diacetone alcohol 156.56
    N,N-dimethylaniline 44.89
    acrylonitrile 147.26
    aniline 44.73
    1,3-propanediol 407.41
    bromobenzene 15.28
    dibromomethane 34.56
    1,1,2,2-tetrachloroethane 69.59
    2-methyl-cyclohexyl acetate 54.36
    tetrabutyl urea 60.15
    diisobutyl methanol 46.15
    2-phenylethanol 67.64
    styrene 10.99
    dioctyl adipate 60.61
    dimethyl sulfate 148.28
    ethyl butyrate 62.29
    methyl lactate 134.33
    butyl lactate 61.16
    diethyl carbonate 43.79
    propanediol butyl ether 138.13
    triethyl orthoformate 48.6
    p-tert-butyltoluene 19.53
    methyl 4-tert-butylbenzoate 84.51
    morpholine 458.04
    tert-butylamine 118.41
    n-dodecanol 42.48
    dimethoxymethane 358.07
    ethylene carbonate 118.42
    cyrene 121.41
    2-ethoxyethyl acetate 66.63
    2-ethylhexyl acetate 41.05
    1,2,4-trichlorobenzene 34.96
    4-methylpyridine 64.29
    dibutyl ether 49.03
    2,6-dimethyl-4-heptanol 46.15
    DEF 161.72
    dimethyl isosorbide 173.77
    tetrachloroethylene 40.87
    eugenol 90.17
    triacetin 85.82
    span 80 117.33
    1,4-butanediol 145.45
    1,1-dichloroethane 44.63
    2-methyl-1-pentanol 70.23
    methyl formate 309.05
    2-methyl-1-butanol 110.4
    n-decane 6.79
    butyronitrile 108.4
    3,7-dimethyl-1-octanol 59.77
    1-chlorooctane 25.97
    1-chlorotetradecane 13.21
    n-nonane 6.12
    undecane 5.65
    tert-butylcyclohexane 4.99
    cyclooctane 2.9
    cyclopentanol 194.73
    tetrahydropyran 216.04
    tert-amyl methyl ether 54.08
    2,5,8-trioxanonane 225.11
    1-hexene 14.27
    2-isopropoxyethanol 137.41
    2,2,2-trifluoroethanol 122.09
    methyl butyrate 81.69

    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