Acoramone

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  • Identifiers

    CAS number
    2020-90-8

    Molecular formula
    C12H16O4

    SMILES
    CC(=O)CC1=CC(=C(C=C1OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.79%
    Vanilla 59.65%
    Floral 55.48%
    Fruity 54.88%
    Spicy 53.51%
    Woody 52.72%
    Balsamic 47.28%
    Powdery 44.27%
    Creamy 38.29%
    Phenolic 35.08%

     

    Flavor
    Sweet 50.24%
    Woody 44.36%
    Spice 39.6%
    Spicy 36.4%
    Fruity 32.76%
    Smoky 32.7%
    Phenolic 29.53%
    Powdery 29.31%
    Vanilla 29.25%
    Musty 29.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.36 (neutral)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 132.0 ˚C est.

  • Synonyms

    • Acoramone
    • 2020-90-8
    • 2-Propanone, 1-(2,4,5-trimethoxyphenyl)-
    • DLB6EBD3DX
    • DTXSID10174044
    • RefChem:1076043
    • DTXCID3096535
    • 1-(2,4,5-trimethoxyphenyl)propan-2-one
    • 2,4,5-trimethoxyphenylacetone
    • 1-(2,4,5-Trimethoxyphenyl)-2-propanone
    • CHEMBL481233
    • UNII-DLB6EBD3DX
    • SCHEMBL6554363
    • (2,4,5-Trimethoxyphenyl)acetone
    • AQZHZTTUVYQMIN-UHFFFAOYSA-N
    • CHEBI:174152
    • BDBM50259869
    • FT67611
    • 2-Propanone, (2,4,5-trimethoxyphenyl)-
    • CS-0272132
    • 1-(2,4,5-Trimethoxyphenyl)-2-propanone, 9CI
    • EN300-1870519
    • 2020-90-8

  • Applications

    Acoramone (CAS 2020-90-8) is principally used in fragrance and odor-related applications. In the perfumery and personal care sectors, it functions as a fragrance ingredient or a fixative, helping to modulate and stabilize the scent profile in formulations. It can also be used as a fragrance component in household and cosmetic products, and may serve as a chemical intermediate or solvent in certain industrial formulations and materials production, such as plastics or coatings. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.5
    methanol 189.56
    isopropanol 81.27
    water 3.88
    ethyl acetate 303.03
    n-propanol 84.02
    acetone 316.63
    n-butanol 68.79
    acetonitrile 309.4
    DMF 411.45
    toluene 77.72
    isobutanol 60.18
    1,4-dioxane 445.5
    methyl acetate 311.16
    THF 460.91
    2-butanone 175.17
    n-pentanol 53.0
    sec-butanol 66.66
    n-hexane 8.47
    ethylene glycol 111.95
    NMP 378.78
    cyclohexane 30.71
    DMSO 514.27
    n-butyl acetate 121.22
    n-octanol 37.58
    chloroform 826.57
    n-propyl acetate 144.24
    acetic acid 440.01
    dichloromethane 816.64
    cyclohexanone 283.64
    propylene glycol 64.36
    isopropyl acetate 124.36
    DMAc 437.96
    2-ethoxyethanol 208.26
    isopentanol 59.81
    n-heptane 8.93
    ethyl formate 242.03
    1,2-dichloroethane 439.64
    n-hexanol 58.9
    2-methoxyethanol 348.79
    isobutyl acetate 85.84
    tetrachloromethane 130.49
    n-pentyl acetate 67.57
    transcutol 231.63
    n-heptanol 32.84
    ethylbenzene 61.45
    MIBK 71.94
    2-propoxyethanol 158.03
    tert-butanol 154.91
    MTBE 113.73
    2-butoxyethanol 78.96
    propionic acid 187.71
    o-xylene 75.63
    formic acid 217.91
    diethyl ether 135.68
    m-xylene 60.65
    p-xylene 85.32
    chlorobenzene 173.91
    dimethyl carbonate 158.78
    n-octane 5.16
    formamide 303.88
    cyclopentanone 344.33
    2-pentanone 127.11
    anisole 150.68
    cyclopentyl methyl ether 176.97
    gamma-butyrolactone 504.02
    1-methoxy-2-propanol 170.3
    pyridine 272.95
    3-pentanone 123.46
    furfural 467.03
    n-dodecane 5.18
    diethylene glycol 194.25
    diisopropyl ether 36.02
    tert-amyl alcohol 101.51
    acetylacetone 244.99
    n-hexadecane 5.94
    acetophenone 156.96
    methyl propionate 215.68
    isopentyl acetate 103.12
    trichloroethylene 799.65
    n-nonanol 34.9
    cyclohexanol 121.51
    benzyl alcohol 121.6
    2-ethylhexanol 48.25
    isooctanol 30.35
    dipropyl ether 66.03
    1,2-dichlorobenzene 184.84
    ethyl lactate 91.6
    propylene carbonate 298.16
    n-methylformamide 242.75
    2-pentanol 44.33
    n-pentane 7.09
    1-propoxy-2-propanol 93.36
    1-methoxy-2-propyl acetate 131.29
    2-(2-methoxypropoxy) propanol 95.04
    mesitylene 41.24
    ε-caprolactone 266.06
    p-cymene 39.71
    epichlorohydrin 495.05
    1,1,1-trichloroethane 423.52
    2-aminoethanol 100.12
    morpholine-4-carbaldehyde 407.92
    sulfolane 462.44
    2,2,4-trimethylpentane 7.8
    2-methyltetrahydrofuran 267.76
    n-hexyl acetate 93.05
    isooctane 4.33
    2-(2-butoxyethoxy)ethanol 102.99
    sec-butyl acetate 91.57
    tert-butyl acetate 121.65
    decalin 17.96
    glycerin 143.31
    diglyme 254.36
    acrylic acid 221.0
    isopropyl myristate 41.6
    n-butyric acid 191.82
    acetyl acetate 270.88
    di(2-ethylhexyl) phthalate 50.21
    ethyl propionate 142.23
    nitromethane 713.32
    1,2-diethoxyethane 102.74
    benzonitrile 158.27
    trioctyl phosphate 35.1
    1-bromopropane 151.89
    gamma-valerolactone 423.43
    n-decanol 27.3
    triethyl phosphate 86.07
    4-methyl-2-pentanol 30.61
    propionitrile 154.45
    vinylene carbonate 320.17
    1,1,2-trichlorotrifluoroethane 452.53
    DMS 141.4
    cumene 44.43
    2-octanol 24.72
    2-hexanone 98.57
    octyl acetate 53.35
    limonene 56.56
    1,2-dimethoxyethane 349.13
    ethyl orthosilicate 75.28
    tributyl phosphate 46.09
    diacetone alcohol 120.63
    N,N-dimethylaniline 104.78
    acrylonitrile 224.37
    aniline 136.62
    1,3-propanediol 147.85
    bromobenzene 178.85
    dibromomethane 443.32
    1,1,2,2-tetrachloroethane 598.37
    2-methyl-cyclohexyl acetate 98.05
    tetrabutyl urea 61.42
    diisobutyl methanol 31.48
    2-phenylethanol 98.35
    styrene 77.58
    dioctyl adipate 74.06
    dimethyl sulfate 264.45
    ethyl butyrate 113.33
    methyl lactate 122.46
    butyl lactate 57.29
    diethyl carbonate 108.31
    propanediol butyl ether 63.31
    triethyl orthoformate 87.96
    p-tert-butyltoluene 38.22
    methyl 4-tert-butylbenzoate 110.99
    morpholine 399.05
    tert-butylamine 75.92
    n-dodecanol 22.92
    dimethoxymethane 281.31
    ethylene carbonate 263.21
    cyrene 149.06
    2-ethoxyethyl acetate 110.97
    2-ethylhexyl acetate 88.04
    1,2,4-trichlorobenzene 218.91
    4-methylpyridine 228.2
    dibutyl ether 50.65
    2,6-dimethyl-4-heptanol 31.48
    DEF 198.29
    dimethyl isosorbide 188.77
    tetrachloroethylene 413.9
    eugenol 101.28
    triacetin 128.73
    span 80 69.9
    1,4-butanediol 59.42
    1,1-dichloroethane 359.71
    2-methyl-1-pentanol 53.45
    methyl formate 281.68
    2-methyl-1-butanol 57.29
    n-decane 8.07
    butyronitrile 135.87
    3,7-dimethyl-1-octanol 39.27
    1-chlorooctane 35.66
    1-chlorotetradecane 16.64
    n-nonane 7.58
    undecane 6.21
    tert-butylcyclohexane 13.99
    cyclooctane 9.14
    cyclopentanol 136.64
    tetrahydropyran 264.29
    tert-amyl methyl ether 90.91
    2,5,8-trioxanonane 176.62
    1-hexene 31.98
    2-isopropoxyethanol 122.55
    2,2,2-trifluoroethanol 250.69
    methyl butyrate 182.33

    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