1-(2-Hydroxy-3-methylphenyl)ethan-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    699-91-2

    Molecular formula
    C9H10O2

    SMILES
    CC1=C(C(=CC=C1)C(=O)C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Sweet 91.44%
    Phenolic 68.23%
    Vanilla 56.38%
    Herbal 52.23%
    Hay 49.88%
    Hawthorn 49.66%
    Spicy 49.22%
    Powdery 47.51%
    Coumarinic 47.35%
    Floral 47.27%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.59 (weak base)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point est.
    112.5 ˚C

  • Synonyms

    • 1-(2-hydroxy-3-methylphenyl)ethanone
    • 699-91-2
    • 2'-Hydroxy-3'-methylacetophenone
    • 2-Acetyl-6-methylphenol
    • Ethanone, 1-(2-hydroxy-3-methylphenyl)-
    • 1-(2-hydroxy-3-methylphenyl)ethan-1-one
    • MFCD07425673
    • Acetophenone, 2'-hydroxy-3'-methyl-
    • Acetophenone, 2-hydroxy-3-methyl-
    • NSC-46633
    • 1-(2-Hydroxy-3-methyl-phenyl)-ethanone
    • Ethanone, 1-?(2-?hydroxy-?3-?methylphenyl)?-
    • NSC46633
    • NSC 46633
    • VB393C7SKG
    • SCHEMBL2051695
    • DTXSID30286597
    • GUGXENROMIJRPN-UHFFFAOYSA-N
    • AKOS002273089
    • AB90350
    • AS-19712
    • SY102951
    • DB-031094
    • CS-0139733
    • EN300-108738
    • I11047
    • 2 inverted exclamation mark -Hydroxy-3 inverted exclamation mark -methylacetophenone
    • 966-050-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 711.03
    methanol 958.66
    isopropanol 580.07
    water 4.92
    ethyl acetate 640.75
    n-propanol 610.21
    acetone 991.75
    n-butanol 486.45
    acetonitrile 947.42
    DMF 1285.51
    toluene 180.53
    isobutanol 396.11
    1,4-dioxane 1916.37
    methyl acetate 714.22
    THF 2238.58
    2-butanone 697.7
    n-pentanol 362.25
    sec-butanol 452.49
    n-hexane 85.37
    ethylene glycol 201.58
    NMP 677.47
    cyclohexane 51.37
    DMSO 1313.62
    n-butyl acetate 272.68
    n-octanol 219.9
    chloroform 814.88
    n-propyl acetate 339.71
    acetic acid 335.22
    dichloromethane 826.66
    cyclohexanone 695.39
    propylene glycol 186.58
    isopropyl acetate 313.25
    DMAc 502.65
    2-ethoxyethanol 601.85
    isopentanol 347.33
    n-heptane 41.59
    ethyl formate 385.45
    1,2-dichloroethane 681.88
    n-hexanol 387.63
    2-methoxyethanol 925.13
    isobutyl acetate 201.78
    tetrachloromethane 150.92
    n-pentyl acetate 195.47
    transcutol 647.47
    n-heptanol 203.48
    ethylbenzene 136.63
    MIBK 324.64
    2-propoxyethanol 640.99
    tert-butanol 678.34
    MTBE 543.22
    2-butoxyethanol 320.08
    propionic acid 367.59
    o-xylene 124.84
    formic acid 155.4
    diethyl ether 733.6
    m-xylene 154.61
    p-xylene 160.31
    chlorobenzene 225.86
    dimethyl carbonate 245.43
    n-octane 29.04
    formamide 320.6
    cyclopentanone 1149.61
    2-pentanone 575.63
    anisole 342.23
    cyclopentyl methyl ether 673.82
    gamma-butyrolactone 1239.37
    1-methoxy-2-propanol 685.89
    pyridine 446.05
    3-pentanone 388.91
    furfural 577.23
    n-dodecane 25.82
    diethylene glycol 511.24
    diisopropyl ether 172.24
    tert-amyl alcohol 463.86
    acetylacetone 547.74
    n-hexadecane 29.27
    acetophenone 226.17
    methyl propionate 502.73
    isopentyl acetate 222.7
    trichloroethylene 821.48
    n-nonanol 180.15
    cyclohexanol 359.93
    benzyl alcohol 216.51
    2-ethylhexanol 180.2
    isooctanol 158.6
    dipropyl ether 229.12
    1,2-dichlorobenzene 196.54
    ethyl lactate 151.86
    propylene carbonate 392.72
    n-methylformamide 698.95
    2-pentanol 340.03
    n-pentane 57.96
    1-propoxy-2-propanol 335.47
    1-methoxy-2-propyl acetate 268.24
    2-(2-methoxypropoxy) propanol 202.12
    mesitylene 106.7
    ε-caprolactone 528.03
    p-cymene 67.71
    epichlorohydrin 1346.92
    1,1,1-trichloroethane 518.27
    2-aminoethanol 317.15
    morpholine-4-carbaldehyde 789.35
    sulfolane 1083.61
    2,2,4-trimethylpentane 33.08
    2-methyltetrahydrofuran 1071.41
    n-hexyl acetate 302.2
    isooctane 34.33
    2-(2-butoxyethoxy)ethanol 318.1
    sec-butyl acetate 211.35
    tert-butyl acetate 349.03
    decalin 45.81
    glycerin 254.73
    diglyme 577.91
    acrylic acid 275.67
    isopropyl myristate 120.22
    n-butyric acid 400.37
    acetyl acetate 265.32
    di(2-ethylhexyl) phthalate 84.99
    ethyl propionate 301.39
    nitromethane 906.82
    1,2-diethoxyethane 297.98
    benzonitrile 242.63
    trioctyl phosphate 87.17
    1-bromopropane 408.45
    gamma-valerolactone 1058.27
    n-decanol 139.19
    triethyl phosphate 96.56
    4-methyl-2-pentanol 182.44
    propionitrile 549.64
    vinylene carbonate 335.76
    1,1,2-trichlorotrifluoroethane 424.36
    DMS 231.29
    cumene 99.38
    2-octanol 164.48
    2-hexanone 397.61
    octyl acetate 154.35
    limonene 97.98
    1,2-dimethoxyethane 946.57
    ethyl orthosilicate 93.16
    tributyl phosphate 91.21
    diacetone alcohol 381.43
    N,N-dimethylaniline 206.51
    acrylonitrile 600.93
    aniline 239.21
    1,3-propanediol 465.05
    bromobenzene 214.48
    dibromomethane 556.23
    1,1,2,2-tetrachloroethane 610.7
    2-methyl-cyclohexyl acetate 141.75
    tetrabutyl urea 118.42
    diisobutyl methanol 108.37
    2-phenylethanol 215.36
    styrene 155.73
    dioctyl adipate 133.88
    dimethyl sulfate 379.44
    ethyl butyrate 185.4
    methyl lactate 223.16
    butyl lactate 132.83
    diethyl carbonate 120.0
    propanediol butyl ether 250.18
    triethyl orthoformate 123.7
    p-tert-butyltoluene 74.44
    methyl 4-tert-butylbenzoate 201.5
    morpholine 1593.47
    tert-butylamine 368.8
    n-dodecanol 107.44
    dimethoxymethane 924.91
    ethylene carbonate 316.89
    cyrene 215.78
    2-ethoxyethyl acetate 243.56
    2-ethylhexyl acetate 169.17
    1,2,4-trichlorobenzene 211.84
    4-methylpyridine 457.3
    dibutyl ether 207.14
    2,6-dimethyl-4-heptanol 108.37
    DEF 493.23
    dimethyl isosorbide 333.1
    tetrachloroethylene 390.23
    eugenol 209.96
    triacetin 189.21
    span 80 179.01
    1,4-butanediol 214.76
    1,1-dichloroethane 638.3
    2-methyl-1-pentanol 258.09
    methyl formate 565.95
    2-methyl-1-butanol 335.59
    n-decane 41.09
    butyronitrile 486.73
    3,7-dimethyl-1-octanol 161.19
    1-chlorooctane 151.2
    1-chlorotetradecane 61.24
    n-nonane 41.6
    undecane 32.1
    tert-butylcyclohexane 51.17
    cyclooctane 24.76
    cyclopentanol 487.44
    tetrahydropyran 1167.36
    tert-amyl methyl ether 344.52
    2,5,8-trioxanonane 347.09
    1-hexene 260.1
    2-isopropoxyethanol 386.3
    2,2,2-trifluoroethanol 162.82
    methyl butyrate 383.05

    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