Methylhydrocotoin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3770-80-7

    Molecular formula
    C16H16O4

    SMILES
    COC1=CC(=C(C(=C1)OC)C(=O)C2=CC=CC=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 71.08%
    Floral 62.35%
    Balsamic 48.72%
    Spicy 45.6%
    Fruity 44.2%
    Vanilla 41.79%
    Powdery 41.18%
    Herbal 36.18%
    Anisic 33.89%
    Aromatic 33.8%

     

    Flavor
    Bitter 64.11%
    Herbal 25.05%
    Balsam 24.07%
    Parsley 20.99%
    Lovage 20.9%
    Aniseed 20.45%
    Ethyl benzoate 20.27%
    Heather 20.26%
    Genet 20.05%
    Broom 19.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.82 (neutral)

    Molecular weight
    272.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    442°C

    Melting point expt.

    • 113 - 115 °C

    Flash point

    • 163.66 ˚C est.

  • Synonyms

    • 2,4,6-Trimethoxybenzophenone
    • 3770-80-7
    • Methylhydrocotoin
    • Phenyl(2,4,6-trimethoxyphenyl)methanone
    • Methanone, phenyl(2,4,6-trimethoxyphenyl)-
    • EINECS 223-209-0
    • 789MD6GU47
    • DTXSID8063179
    • BENZOPHENONE, 2,4,6-TRIMETHOXY-
    • RefChem:818626
    • DTXCID1039395
    • 223-209-0
    • phenyl-(2,4,6-trimethoxyphenyl)methanone
    • UNII-789MD6GU47
    • SCHEMBL2288468
    • SCHEMBL27486328
    • CHEBI:174583
    • KFZFLPQFBYUOHV-UHFFFAOYSA-N
    • AKOS024332998
    • Phenyl(2,4,6-trimethoxyphenyl)-Methanone
    • NS00030272
    • Q27266657
    • 3770-80-7

  • Applications

    Methylhydrocotoin, CAS 3770-80-7, is primarily regarded as a fragrance chemistry intermediate and may serve as an odorant or fixative in perfumery and related cosmetic applications. It is also considered as a solvent or processing aid in industrial coatings and inks, supporting formulation and handling of materials. In the polymer and plastics sector it can be evaluated as a plasticizer or stabilizer to improve material properties. Additionally, it may function as an intermediate in the synthesis of other fragrance compounds. Real-world use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.0
    methanol 109.27
    isopropanol 45.94
    water 0.08
    ethyl acetate 181.3
    n-propanol 70.3
    acetone 263.97
    n-butanol 52.53
    acetonitrile 161.92
    DMF 515.45
    toluene 117.39
    isobutanol 44.45
    1,4-dioxane 383.45
    methyl acetate 229.34
    THF 566.02
    2-butanone 186.09
    n-pentanol 40.45
    sec-butanol 36.95
    n-hexane 2.06
    ethylene glycol 57.75
    NMP 362.76
    cyclohexane 15.11
    DMSO 580.92
    n-butyl acetate 59.19
    n-octanol 19.48
    chloroform 866.68
    n-propyl acetate 74.85
    acetic acid 150.7
    dichloromethane 902.15
    cyclohexanone 293.06
    propylene glycol 60.55
    isopropyl acetate 66.38
    DMAc 399.7
    2-ethoxyethanol 130.18
    isopentanol 37.42
    n-heptane 2.54
    ethyl formate 192.14
    1,2-dichloroethane 545.81
    n-hexanol 40.06
    2-methoxyethanol 331.77
    isobutyl acetate 47.94
    tetrachloromethane 65.19
    n-pentyl acetate 35.62
    transcutol 140.76
    n-heptanol 20.33
    ethylbenzene 41.95
    MIBK 54.28
    2-propoxyethanol 125.51
    tert-butanol 51.18
    MTBE 38.16
    2-butoxyethanol 60.94
    propionic acid 112.71
    o-xylene 50.32
    formic acid 72.86
    diethyl ether 64.06
    m-xylene 43.91
    p-xylene 55.12
    chlorobenzene 208.88
    dimethyl carbonate 142.01
    n-octane 1.44
    formamide 164.44
    cyclopentanone 448.03
    2-pentanone 117.0
    anisole 108.5
    cyclopentyl methyl ether 134.91
    gamma-butyrolactone 509.56
    1-methoxy-2-propanol 150.46
    pyridine 501.47
    3-pentanone 102.91
    furfural 513.0
    n-dodecane 1.94
    diethylene glycol 144.32
    diisopropyl ether 11.17
    tert-amyl alcohol 36.73
    acetylacetone 205.5
    n-hexadecane 2.39
    acetophenone 113.05
    methyl propionate 195.84
    isopentyl acetate 49.6
    trichloroethylene 1031.13
    n-nonanol 19.91
    cyclohexanol 79.99
    benzyl alcohol 121.47
    2-ethylhexanol 27.25
    isooctanol 17.4
    dipropyl ether 27.92
    1,2-dichlorobenzene 164.92
    ethyl lactate 57.22
    propylene carbonate 236.61
    n-methylformamide 251.65
    2-pentanol 22.97
    n-pentane 1.95
    1-propoxy-2-propanol 62.39
    1-methoxy-2-propyl acetate 84.91
    2-(2-methoxypropoxy) propanol 54.8
    mesitylene 21.14
    ε-caprolactone 206.42
    p-cymene 21.09
    epichlorohydrin 723.68
    1,1,1-trichloroethane 293.42
    2-aminoethanol 79.77
    morpholine-4-carbaldehyde 332.8
    sulfolane 479.64
    2,2,4-trimethylpentane 1.92
    2-methyltetrahydrofuran 229.56
    n-hexyl acetate 44.51
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 71.51
    sec-butyl acetate 42.7
    tert-butyl acetate 57.65
    decalin 6.61
    glycerin 106.87
    diglyme 161.06
    acrylic acid 138.27
    isopropyl myristate 19.73
    n-butyric acid 131.43
    acetyl acetate 134.85
    di(2-ethylhexyl) phthalate 32.97
    ethyl propionate 73.72
    nitromethane 403.93
    1,2-diethoxyethane 50.78
    benzonitrile 145.44
    trioctyl phosphate 20.14
    1-bromopropane 135.33
    gamma-valerolactone 487.57
    n-decanol 15.86
    triethyl phosphate 40.37
    4-methyl-2-pentanol 15.05
    propionitrile 109.98
    vinylene carbonate 253.52
    1,1,2-trichlorotrifluoroethane 452.6
    DMS 88.89
    cumene 24.4
    2-octanol 11.83
    2-hexanone 70.8
    octyl acetate 27.4
    limonene 26.56
    1,2-dimethoxyethane 212.04
    ethyl orthosilicate 35.04
    tributyl phosphate 25.52
    diacetone alcohol 86.29
    N,N-dimethylaniline 61.51
    acrylonitrile 193.32
    aniline 164.06
    1,3-propanediol 124.97
    bromobenzene 235.12
    dibromomethane 464.58
    1,1,2,2-tetrachloroethane 704.81
    2-methyl-cyclohexyl acetate 49.62
    tetrabutyl urea 35.97
    diisobutyl methanol 14.78
    2-phenylethanol 90.44
    styrene 64.92
    dioctyl adipate 40.28
    dimethyl sulfate 205.24
    ethyl butyrate 57.14
    methyl lactate 107.07
    butyl lactate 40.49
    diethyl carbonate 54.48
    propanediol butyl ether 46.96
    triethyl orthoformate 41.7
    p-tert-butyltoluene 18.5
    methyl 4-tert-butylbenzoate 69.18
    morpholine 408.83
    tert-butylamine 22.7
    n-dodecanol 12.84
    dimethoxymethane 281.47
    ethylene carbonate 195.23
    cyrene 99.55
    2-ethoxyethyl acetate 69.23
    2-ethylhexyl acetate 40.67
    1,2,4-trichlorobenzene 209.13
    4-methylpyridine 297.3
    dibutyl ether 21.07
    2,6-dimethyl-4-heptanol 14.78
    DEF 147.32
    dimethyl isosorbide 114.31
    tetrachloroethylene 413.99
    eugenol 74.92
    triacetin 58.74
    span 80 49.16
    1,4-butanediol 43.46
    1,1-dichloroethane 300.74
    2-methyl-1-pentanol 34.06
    methyl formate 277.71
    2-methyl-1-butanol 36.56
    n-decane 2.72
    butyronitrile 93.18
    3,7-dimethyl-1-octanol 19.33
    1-chlorooctane 16.53
    1-chlorotetradecane 8.05
    n-nonane 2.18
    undecane 2.23
    tert-butylcyclohexane 4.35
    cyclooctane 3.49
    cyclopentanol 115.15
    tetrahydropyran 252.66
    tert-amyl methyl ether 31.91
    2,5,8-trioxanonane 112.13
    1-hexene 12.88
    2-isopropoxyethanol 69.28
    2,2,2-trifluoroethanol 88.9
    methyl butyrate 109.35

    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