Ethanone, 1-phenyl-, dihydroxy deriv.

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  • Identifiers

    CAS number
    1075-06-5

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 70.91%
    Sweet 52.39%
    Spicy 48.82%
    Fatty 47.44%
    Vegetable 47.23%
    Earthy 44.59%
    Almond 41.53%
    Nutty 41.12%
    Balsamic 37.91%
    Honey 35.14%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    277°C

    Flash point est.
    155.07 ˚C

  • Synonyms

    • 1075-06-5
    • 2,2-Dihydroxy-1-phenylethanone
    • 2,2-Dihydroxy-1-phenylethan-1-one
    • Dioxyacetophenone
    • Dihydroxy 1-phenylethanone
    • Ethanone, 2,2-dihydroxy-1-phenyl-
    • 2,2-Dihydroxyacetophenone
    • DTXSID501032251
    • NSC-249825
    • Ethanone, 1-phenyl-, dihydroxy deriv.
    • 2,2-Dihydroxy-1-phenyl-ethanone
    • Acetophenone, 2,2-dihydroxy-
    • alpha,alpha-Dihydroxyacetophenone
    • Phenylglyoxalhydrate
    • MFCD05148876
    • BRN 2437741
    • 6A8BDX43XD
    • SCHEMBL157066
    • alpha,alpha-dihydroxy-acetophenone
    • DTXCID501324208
    • 2,2-Dihydroxy-1-phenylethanone #
    • NSC249825
    • s5425
    • .alpha.,.alpha.-Dihydroxyacetophenone
    • AKOS006293453
    • CCG-266223
    • NSC 249825
    • AC-20890
    • DA-60004
    • SY046839
    • HY-128407
    • CS-0099611
    • D70386
    • EN300-310852
    • Benzeneacetaldehyde, alpha-oxo-, hydrate (1:1)
    • 3-07-00-03443 (Beilstein Handbook Reference)
    • 626-958-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.63
    methanol 152.97
    isopropanol 39.23
    water 26.04
    ethyl acetate 12.71
    n-propanol 42.29
    acetone 31.13
    n-butanol 26.73
    acetonitrile 18.6
    DMF 405.39
    toluene 3.78
    isobutanol 19.75
    1,4-dioxane 45.48
    methyl acetate 17.72
    THF 51.17
    2-butanone 21.59
    n-pentanol 23.38
    sec-butanol 27.16
    n-hexane 0.94
    ethylene glycol 157.91
    NMP 223.14
    cyclohexane 1.67
    DMSO 481.34
    n-butyl acetate 10.46
    n-octanol 28.58
    chloroform 10.31
    n-propyl acetate 9.41
    acetic acid 36.25
    dichloromethane 19.27
    cyclohexanone 33.07
    propylene glycol 63.97
    isopropyl acetate 8.32
    DMAc 263.82
    2-ethoxyethanol 83.71
    isopentanol 17.09
    n-heptane 3.3
    ethyl formate 19.6
    1,2-dichloroethane 22.35
    n-hexanol 26.44
    2-methoxyethanol 148.58
    isobutyl acetate 4.8
    tetrachloromethane 2.78
    n-pentyl acetate 12.96
    transcutol 115.28
    n-heptanol 28.66
    ethylbenzene 5.46
    MIBK 11.3
    2-propoxyethanol 61.91
    tert-butanol 38.5
    MTBE 13.06
    2-butoxyethanol 49.85
    propionic acid 30.94
    o-xylene 8.32
    formic acid 82.23
    diethyl ether 11.04
    m-xylene 6.66
    p-xylene 5.46
    chlorobenzene 6.94
    dimethyl carbonate 21.66
    n-octane 2.11
    formamide 167.39
    cyclopentanone 46.3
    2-pentanone 16.11
    anisole 16.36
    cyclopentyl methyl ether 18.24
    gamma-butyrolactone 65.17
    1-methoxy-2-propanol 85.87
    pyridine 22.1
    3-pentanone 13.59
    furfural 62.0
    n-dodecane 2.29
    diethylene glycol 101.12
    diisopropyl ether 3.91
    tert-amyl alcohol 29.17
    acetylacetone 24.92
    n-hexadecane 2.42
    acetophenone 21.75
    methyl propionate 24.52
    isopentyl acetate 9.85
    trichloroethylene 26.73
    n-nonanol 25.57
    cyclohexanol 21.34
    benzyl alcohol 24.27
    2-ethylhexanol 15.29
    isooctanol 19.62
    dipropyl ether 13.49
    1,2-dichlorobenzene 11.49
    ethyl lactate 20.17
    propylene carbonate 29.43
    n-methylformamide 152.0
    2-pentanol 15.62
    n-pentane 1.29
    1-propoxy-2-propanol 41.62
    1-methoxy-2-propyl acetate 22.63
    2-(2-methoxypropoxy) propanol 43.25
    mesitylene 6.58
    ε-caprolactone 31.57
    p-cymene 8.56
    epichlorohydrin 49.53
    1,1,1-trichloroethane 5.68
    2-aminoethanol 133.57
    morpholine-4-carbaldehyde 136.25
    sulfolane 148.14
    2,2,4-trimethylpentane 1.31
    2-methyltetrahydrofuran 24.33
    n-hexyl acetate 19.07
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 62.11
    sec-butyl acetate 5.63
    tert-butyl acetate 11.55
    decalin 1.89
    glycerin 119.64
    diglyme 99.68
    acrylic acid 35.43
    isopropyl myristate 10.57
    n-butyric acid 23.05
    acetyl acetate 8.44
    di(2-ethylhexyl) phthalate 15.38
    ethyl propionate 10.55
    nitromethane 68.39
    1,2-diethoxyethane 23.09
    benzonitrile 16.14
    trioctyl phosphate 14.5
    1-bromopropane 6.62
    gamma-valerolactone 73.06
    n-decanol 20.53
    triethyl phosphate 11.06
    4-methyl-2-pentanol 9.37
    propionitrile 15.13
    vinylene carbonate 26.93
    1,1,2-trichlorotrifluoroethane 70.06
    DMS 16.05
    cumene 6.1
    2-octanol 17.04
    2-hexanone 11.05
    octyl acetate 15.35
    limonene 11.18
    1,2-dimethoxyethane 74.4
    ethyl orthosilicate 10.31
    tributyl phosphate 11.86
    diacetone alcohol 34.49
    N,N-dimethylaniline 22.75
    acrylonitrile 30.79
    aniline 13.53
    1,3-propanediol 87.3
    bromobenzene 5.28
    dibromomethane 10.58
    1,1,2,2-tetrachloroethane 28.27
    2-methyl-cyclohexyl acetate 13.24
    tetrabutyl urea 25.2
    diisobutyl methanol 11.38
    2-phenylethanol 25.4
    styrene 5.22
    dioctyl adipate 17.28
    dimethyl sulfate 56.5
    ethyl butyrate 11.71
    methyl lactate 47.16
    butyl lactate 21.11
    diethyl carbonate 8.82
    propanediol butyl ether 50.04
    triethyl orthoformate 10.92
    p-tert-butyltoluene 8.52
    methyl 4-tert-butylbenzoate 37.51
    morpholine 62.47
    tert-butylamine 17.71
    n-dodecanol 15.77
    dimethoxymethane 92.56
    ethylene carbonate 20.12
    cyrene 52.25
    2-ethoxyethyl acetate 19.04
    2-ethylhexyl acetate 7.35
    1,2,4-trichlorobenzene 14.06
    4-methylpyridine 16.78
    dibutyl ether 11.66
    2,6-dimethyl-4-heptanol 11.38
    DEF 56.7
    dimethyl isosorbide 56.59
    tetrachloroethylene 20.5
    eugenol 41.69
    triacetin 23.53
    span 80 39.14
    1,4-butanediol 52.59
    1,1-dichloroethane 7.8
    2-methyl-1-pentanol 15.39
    methyl formate 79.92
    2-methyl-1-butanol 17.21
    n-decane 3.06
    butyronitrile 12.71
    3,7-dimethyl-1-octanol 17.67
    1-chlorooctane 10.61
    1-chlorotetradecane 5.39
    n-nonane 2.83
    undecane 2.6
    tert-butylcyclohexane 1.64
    cyclooctane 1.24
    cyclopentanol 28.58
    tetrahydropyran 18.27
    tert-amyl methyl ether 14.39
    2,5,8-trioxanonane 81.84
    1-hexene 2.91
    2-isopropoxyethanol 42.14
    2,2,2-trifluoroethanol 30.48
    methyl butyrate 14.92

    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