1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one

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  • Identifiers

    CAS number
    705-15-7

    Molecular formula
    C9H10O3

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Sweet 92.72%
    Vanilla 72.6%
    Phenolic 58.78%
    Floral 56.76%
    Balsamic 54.45%
    Powdery 54.21%
    Spicy 51.02%
    Woody 47.49%
    Hawthorn 45.79%
    Creamy 45.63%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.88 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point est.
    126.97 ˚C

  • Synonyms

    • 2'-Hydroxy-5'-methoxyacetophenone
    • 705-15-7
    • 1-(2-Hydroxy-5-methoxyphenyl)ethanone
    • 2-Hydroxy-5-methoxyacetophenone
    • Ethanone, 1-(2-hydroxy-5-methoxyphenyl)-
    • 1-(2-Hydroxy-5-methoxyphenyl)ethan-1-one
    • 5-Methoxy-2-hydroxyacetophenone
    • MFCD00008731
    • Acetophenone, 2'-hydroxy-5'-methoxy-
    • EINECS 211-882-3
    • 1-(2-hydroxy-5-methoxy-phenyl)-ethanone
    • AI3-26008
    • DTXSID40220765
    • NSC 338218
    • 2 inverted exclamation marka-Hydroxy-5 inverted exclamation marka-methoxyacetophenone
    • 2-HYDROXY-5-METHOXYACETOPHENONE (5,5,5-D3)
    • NSC338218
    • Maybridge1_004072
    • SCHEMBL312754
    • 2'Hydroxy5'methoxyacetophenone
    • 2-hydroxi-5-methoxyacetophenone
    • CHEMBL5266130
    • HMS553B04
    • 2-hydroxy-5-methoxy acetophenone
    • DTXCID70143256
    • 5'-methoxy-2'-hydroxyacetophenone
    • 1(2Hydroxy5methoxyphenyl)ethan1one
    • CS-D1489
    • HY-N1731
    • BBL011791
    • Ethanone, 1(2hydroxy5methoxyphenyl)
    • STL163394
    • (2'-hydroxy-5'methoxyphenyl)ethanone
    • 2\'-Hydroxy-5\'-Methoxyacetophenone
    • AKOS000120848
    • FH34286
    • FS-2111
    • NSC-338218
    • 2'-Hydroxy-5'-methoxyacetophenone, 99%
    • BP-13151
    • PD065266
    • SY018474
    • 1-(2-Hydroxy-5-methoxyphenyl)ethanone #
    • DB-017415
    • H0868
    • NS00037062
    • EN300-20850
    • F30218
    • Q63409693
    • Z104483744
    • 2 inverted exclamation mark -hydroxy-5 inverted exclamation mark -methoxyacetophenone
    • 211-882-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.84
    methanol 251.01
    isopropanol 129.45
    water 4.12
    ethyl acetate 134.7
    n-propanol 118.16
    acetone 245.25
    n-butanol 91.14
    acetonitrile 253.77
    DMF 490.55
    toluene 36.53
    isobutanol 80.03
    1,4-dioxane 489.43
    methyl acetate 239.6
    THF 449.86
    2-butanone 175.99
    n-pentanol 65.32
    sec-butanol 86.84
    n-hexane 2.42
    ethylene glycol 107.98
    NMP 248.72
    cyclohexane 6.86
    DMSO 555.32
    n-butyl acetate 52.03
    n-octanol 39.84
    chloroform 143.14
    n-propyl acetate 76.41
    acetic acid 141.37
    dichloromethane 239.45
    cyclohexanone 170.75
    propylene glycol 75.52
    isopropyl acetate 56.23
    DMAc 383.94
    2-ethoxyethanol 176.74
    isopentanol 69.68
    n-heptane 4.83
    ethyl formate 147.0
    1,2-dichloroethane 140.41
    n-hexanol 57.72
    2-methoxyethanol 352.68
    isobutyl acetate 38.96
    tetrachloromethane 21.43
    n-pentyl acetate 33.26
    transcutol 194.69
    n-heptanol 31.94
    ethylbenzene 27.77
    MIBK 55.58
    2-propoxyethanol 141.87
    tert-butanol 214.77
    MTBE 91.56
    2-butoxyethanol 66.79
    propionic acid 105.63
    o-xylene 36.11
    formic acid 104.79
    diethyl ether 84.39
    m-xylene 29.99
    p-xylene 40.95
    chlorobenzene 53.36
    dimethyl carbonate 86.62
    n-octane 2.95
    formamide 258.29
    cyclopentanone 247.53
    2-pentanone 101.65
    anisole 107.57
    cyclopentyl methyl ether 103.58
    gamma-butyrolactone 301.63
    1-methoxy-2-propanol 186.79
    pyridine 151.12
    3-pentanone 79.94
    furfural 241.45
    n-dodecane 4.15
    diethylene glycol 167.4
    diisopropyl ether 18.59
    tert-amyl alcohol 124.01
    acetylacetone 130.14
    n-hexadecane 4.72
    acetophenone 86.03
    methyl propionate 134.18
    isopentyl acetate 47.28
    trichloroethylene 206.78
    n-nonanol 37.17
    cyclohexanol 82.37
    benzyl alcohol 78.02
    2-ethylhexanol 36.74
    isooctanol 27.23
    dipropyl ether 41.64
    1,2-dichlorobenzene 53.9
    ethyl lactate 47.13
    propylene carbonate 134.56
    n-methylformamide 273.17
    2-pentanol 46.21
    n-pentane 2.59
    1-propoxy-2-propanol 72.77
    1-methoxy-2-propyl acetate 76.16
    2-(2-methoxypropoxy) propanol 75.35
    mesitylene 19.04
    ε-caprolactone 145.2
    p-cymene 21.37
    epichlorohydrin 350.76
    1,1,1-trichloroethane 100.08
    2-aminoethanol 125.09
    morpholine-4-carbaldehyde 320.28
    sulfolane 272.32
    2,2,4-trimethylpentane 3.2
    2-methyltetrahydrofuran 217.27
    n-hexyl acetate 57.27
    isooctane 2.36
    2-(2-butoxyethoxy)ethanol 98.08
    sec-butyl acetate 41.95
    tert-butyl acetate 69.07
    decalin 5.86
    glycerin 128.56
    diglyme 200.34
    acrylic acid 96.39
    isopropyl myristate 28.06
    n-butyric acid 95.98
    acetyl acetate 88.19
    di(2-ethylhexyl) phthalate 31.03
    ethyl propionate 69.09
    nitromethane 383.78
    1,2-diethoxyethane 78.94
    benzonitrile 86.45
    trioctyl phosphate 22.81
    1-bromopropane 53.16
    gamma-valerolactone 297.9
    n-decanol 30.17
    triethyl phosphate 41.04
    4-methyl-2-pentanol 28.49
    propionitrile 138.65
    vinylene carbonate 134.11
    1,1,2-trichlorotrifluoroethane 163.83
    DMS 69.39
    cumene 22.49
    2-octanol 23.71
    2-hexanone 75.96
    octyl acetate 36.81
    limonene 30.05
    1,2-dimethoxyethane 324.14
    ethyl orthosilicate 35.84
    tributyl phosphate 26.43
    diacetone alcohol 100.77
    N,N-dimethylaniline 67.24
    acrylonitrile 184.52
    aniline 71.14
    1,3-propanediol 166.49
    bromobenzene 47.05
    dibromomethane 109.31
    1,1,2,2-tetrachloroethane 143.94
    2-methyl-cyclohexyl acetate 50.02
    tetrabutyl urea 41.5
    diisobutyl methanol 24.74
    2-phenylethanol 65.67
    styrene 31.23
    dioctyl adipate 43.91
    dimethyl sulfate 134.75
    ethyl butyrate 55.85
    methyl lactate 74.8
    butyl lactate 31.39
    diethyl carbonate 51.63
    propanediol butyl ether 55.54
    triethyl orthoformate 42.1
    p-tert-butyltoluene 20.54
    methyl 4-tert-butylbenzoate 64.98
    morpholine 404.19
    tert-butylamine 88.71
    n-dodecanol 24.87
    dimethoxymethane 281.38
    ethylene carbonate 118.56
    cyrene 100.08
    2-ethoxyethyl acetate 59.43
    2-ethylhexyl acetate 35.78
    1,2,4-trichlorobenzene 66.05
    4-methylpyridine 140.88
    dibutyl ether 40.33
    2,6-dimethyl-4-heptanol 24.74
    DEF 130.74
    dimethyl isosorbide 143.23
    tetrachloroethylene 79.42
    eugenol 66.3
    triacetin 66.54
    span 80 54.36
    1,4-butanediol 62.89
    1,1-dichloroethane 108.21
    2-methyl-1-pentanol 54.49
    methyl formate 262.31
    2-methyl-1-butanol 63.07
    n-decane 5.83
    butyronitrile 106.7
    3,7-dimethyl-1-octanol 36.0
    1-chlorooctane 23.35
    1-chlorotetradecane 11.91
    n-nonane 4.94
    undecane 4.89
    tert-butylcyclohexane 5.73
    cyclooctane 2.45
    cyclopentanol 113.05
    tetrahydropyran 204.77
    tert-amyl methyl ether 63.49
    2,5,8-trioxanonane 153.05
    1-hexene 13.51
    2-isopropoxyethanol 104.24
    2,2,2-trifluoroethanol 78.13
    methyl butyrate 99.17

    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