Guaiacylacetone

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  • Identifiers

    CAS number
    2503-46-0

    Molecular formula
    C10H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 85.6%
    Vanilla 76.15%
    Spicy 66.22%
    Woody 63.64%
    Balsamic 59.68%
    Creamy 53.62%
    Phenolic 52.09%
    Powdery 52.02%
    Floral 45.75%
    Fruity 44.49%

     

    Flavor
    Sweet 90.42%
    Woody 62.83%
    Spicy 58.21%
    Vanilla 50.55%
    Clove 48.42%
    Spice 46.05%
    Powdery 45.78%
    Phenolic 45.14%
    Smoky 41.09%
    Creamy 35.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    9.82 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 136.36 ˚C est.

  • Synonyms

    • 2503-46-0
    • 4-Hydroxy-3-methoxyphenylacetone
    • 1-(4-hydroxy-3-methoxyphenyl)propan-2-one
    • Guaiacylacetone
    • 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-
    • Vanillyl methyl ketone
    • 4-Hydroxy-3-methoxyphenyl acetone
    • 1-(4-Hydroxy-3-methoxyphenyl)acetone
    • 1-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPANONE
    • 2-Propiovanillone
    • UNII-0626DKI6FE
    • Methyl vanillyl ketone
    • EINECS 219-704-6
    • NSC 16690
    • NSC-16690
    • 0626DKI6FE
    • DTXSID1075060
    • 4-Hydroxy-3-methoxyphenylpropan-2-one
    • (4-HYDROXY-3-METHOXYPHENYL)ACETONE
    • 2-Propanone, (4-hydroxy-3-methoxyphenyl)-
    • 1-(4-Hydroxy-3-methoxy-phenyl)-propan-2-one
    • HMP-one
    • Methylvanillyl ketone
    • SCHEMBL1682653
    • DTXCID1037199
    • NSC16690
    • (3-methoxy-4-hydroxyphenyl)-acetone
    • MFCD00130260
    • AKOS015917671
    • FH10760
    • 4-Hydroxy-3-methoxyphenylacetone, 96%
    • 1-(4-Hydroxy-3-methoxyphenyl)acetone #
    • 3-(4-hydroxy-3-methoxyphenyl)-2-propanone
    • NS00027795
    • 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-(8CI)
    • Q27236167
    • 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-(8CI)(9CI)
    • Vanillyl methyl ketone;1-(4-Hydroxy-3-methoxyphenyl)-2-propanone;Guaiacylacetone
    • 219-704-6

  • Applications

    Guaiacylacetone (CAS 2503-46-0) is used as an intermediate in fragrance and flavor chemistry; may serve as a scent component in perfumes and personal care products; is commonly evaluated as a building block for lignin-derived polymers and plastics; may participate in coatings and inks as a functional intermediate or fragrance additive; and may be used in household cleaning products as a fragrance-related ingredient, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.62
    methanol 400.99
    isopropanol 214.17
    water 10.03
    ethyl acetate 147.97
    n-propanol 216.26
    acetone 502.78
    n-butanol 161.59
    acetonitrile 236.75
    DMF 997.65
    toluene 28.81
    isobutanol 131.31
    1,4-dioxane 281.37
    methyl acetate 227.04
    THF 480.16
    2-butanone 260.33
    n-pentanol 118.21
    sec-butanol 167.45
    n-hexane 8.75
    ethylene glycol 219.9
    NMP 567.86
    cyclohexane 6.73
    DMSO 1194.73
    n-butyl acetate 86.05
    n-octanol 42.01
    chloroform 210.8
    n-propyl acetate 96.56
    acetic acid 445.78
    dichloromethane 220.22
    cyclohexanone 221.04
    propylene glycol 187.72
    isopropyl acetate 87.54
    DMAc 716.74
    2-ethoxyethanol 308.8
    isopentanol 126.07
    n-heptane 3.97
    ethyl formate 130.65
    1,2-dichloroethane 186.06
    n-hexanol 92.33
    2-methoxyethanol 524.67
    isobutyl acetate 54.52
    tetrachloromethane 38.38
    n-pentyl acetate 46.52
    transcutol 626.53
    n-heptanol 36.1
    ethylbenzene 26.42
    MIBK 102.34
    2-propoxyethanol 204.09
    tert-butanol 313.79
    MTBE 181.43
    2-butoxyethanol 94.33
    propionic acid 249.38
    o-xylene 33.61
    formic acid 412.66
    diethyl ether 160.58
    m-xylene 29.42
    p-xylene 29.33
    chlorobenzene 66.48
    dimethyl carbonate 126.64
    n-octane 1.6
    formamide 578.85
    cyclopentanone 360.42
    2-pentanone 175.98
    anisole 117.55
    cyclopentyl methyl ether 159.24
    gamma-butyrolactone 404.01
    1-methoxy-2-propanol 323.61
    pyridine 154.59
    3-pentanone 133.39
    furfural 323.71
    n-dodecane 1.56
    diethylene glycol 259.98
    diisopropyl ether 36.45
    tert-amyl alcohol 229.92
    acetylacetone 215.98
    n-hexadecane 1.79
    acetophenone 110.15
    methyl propionate 171.81
    isopentyl acetate 78.77
    trichloroethylene 346.72
    n-nonanol 35.85
    cyclohexanol 105.15
    benzyl alcohol 98.78
    2-ethylhexanol 46.55
    isooctanol 30.02
    dipropyl ether 44.0
    1,2-dichlorobenzene 75.99
    ethyl lactate 84.47
    propylene carbonate 184.36
    n-methylformamide 470.29
    2-pentanol 102.66
    n-pentane 7.09
    1-propoxy-2-propanol 120.54
    1-methoxy-2-propyl acetate 123.16
    2-(2-methoxypropoxy) propanol 137.1
    mesitylene 20.79
    ε-caprolactone 189.14
    p-cymene 20.45
    epichlorohydrin 419.89
    1,1,1-trichloroethane 137.55
    2-aminoethanol 242.56
    morpholine-4-carbaldehyde 427.51
    sulfolane 552.29
    2,2,4-trimethylpentane 7.29
    2-methyltetrahydrofuran 274.2
    n-hexyl acetate 83.69
    isooctane 4.51
    2-(2-butoxyethoxy)ethanol 171.58
    sec-butyl acetate 65.78
    tert-butyl acetate 125.56
    decalin 6.79
    glycerin 319.43
    diglyme 312.18
    acrylic acid 283.86
    isopropyl myristate 29.2
    n-butyric acid 179.12
    acetyl acetate 106.88
    di(2-ethylhexyl) phthalate 39.77
    ethyl propionate 95.62
    nitromethane 771.0
    1,2-diethoxyethane 106.81
    benzonitrile 85.05
    trioctyl phosphate 28.35
    1-bromopropane 79.44
    gamma-valerolactone 386.7
    n-decanol 25.24
    triethyl phosphate 50.81
    4-methyl-2-pentanol 56.67
    propionitrile 134.24
    vinylene carbonate 158.41
    1,1,2-trichlorotrifluoroethane 359.9
    DMS 110.27
    cumene 22.98
    2-octanol 24.48
    2-hexanone 111.69
    octyl acetate 40.4
    limonene 29.78
    1,2-dimethoxyethane 367.89
    ethyl orthosilicate 46.32
    tributyl phosphate 39.8
    diacetone alcohol 193.09
    N,N-dimethylaniline 81.73
    acrylonitrile 195.29
    aniline 94.18
    1,3-propanediol 246.94
    bromobenzene 50.55
    dibromomethane 120.9
    1,1,2,2-tetrachloroethane 255.22
    2-methyl-cyclohexyl acetate 65.7
    tetrabutyl urea 53.24
    diisobutyl methanol 28.18
    2-phenylethanol 77.17
    styrene 31.63
    dioctyl adipate 55.12
    dimethyl sulfate 261.95
    ethyl butyrate 65.6
    methyl lactate 145.01
    butyl lactate 58.72
    diethyl carbonate 57.32
    propanediol butyl ether 123.01
    triethyl orthoformate 54.52
    p-tert-butyltoluene 20.54
    methyl 4-tert-butylbenzoate 92.14
    morpholine 381.37
    tert-butylamine 142.8
    n-dodecanol 17.98
    dimethoxymethane 343.69
    ethylene carbonate 131.37
    cyrene 142.41
    2-ethoxyethyl acetate 94.6
    2-ethylhexyl acetate 60.4
    1,2,4-trichlorobenzene 100.57
    4-methylpyridine 145.31
    dibutyl ether 37.15
    2,6-dimethyl-4-heptanol 28.18
    DEF 229.09
    dimethyl isosorbide 184.42
    tetrachloroethylene 170.07
    eugenol 89.38
    triacetin 108.13
    span 80 89.58
    1,4-butanediol 117.68
    1,1-dichloroethane 146.88
    2-methyl-1-pentanol 96.44
    methyl formate 336.25
    2-methyl-1-butanol 129.59
    n-decane 2.83
    butyronitrile 106.06
    3,7-dimethyl-1-octanol 43.11
    1-chlorooctane 17.94
    1-chlorotetradecane 6.72
    n-nonane 2.62
    undecane 2.02
    tert-butylcyclohexane 7.26
    cyclooctane 2.52
    cyclopentanol 146.93
    tetrahydropyran 206.76
    tert-amyl methyl ether 129.4
    2,5,8-trioxanonane 208.69
    1-hexene 35.81
    2-isopropoxyethanol 166.71
    2,2,2-trifluoroethanol 230.12
    methyl butyrate 120.66

    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