Artemidiol

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  • Identifiers

    CAS number
    54963-30-3

    Molecular formula
    C13H14O4

    SMILES
    CCC(C(C1=CC2=CC=CC=C2C(=O)O1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.4%
    Caramellic 36.89%
    Fruity 35.81%
    Odorless 35.46%
    Creamy 34.97%
    Vanilla 34.49%
    Milky 30.98%
    Buttery 29.99%
    Fatty 27.4%
    Dairy 24.78%

     

    Flavor
    Bitter 54.18%
    Odorless 40.05%
    Mild 28.81%
    Fruity 28.23%
    Bland 23.29%
    Sweet-like 22.31%
    Sweet 20.06%
    Orange flower 19.47%
    Ethyl benzoate 19.08%
    Orange blossom 18.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.27 (neutral)

    Molecular weight
    234.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    499°C

    Melting point expt.

    • 131.5 - 133 °C

    Flash point

    • 190.71 ˚C est.

  • Synonyms

    • Artemidiol
    • 3-(1,2-Dihydroxybutyl)-1H-2-benzopyran-1-one
    • 54963-30-3
    • 3-(1,2-dihydroxybutyl)-1H-isochromen-1-one
    • CHEBI:174201
    • DTXSID401246580
    • 3-(1,2-dihydroxybutyl)isochromen-1-one
    • DB-347357
    • 1H-2-Benzopyran-1-one, 3-(1,2-dihydroxybutyl)-
    • 54963-30-3

  • Applications

    Artemidiol (CAS 54963-30-3) is a natural product isolated from Artemisia species and is regarded as a potential fragrance ingredient. In industry, it is primarily used as a fragrance component and may function as a fixative in perfumery. It can serve as an intermediate or precursor in the synthesis of aroma compounds for cosmetics and personal care and may be evaluated for flavor/aroma formulations in food-related applications. It is also used as a scent additive in cleaning and household products, and may be found as a fragrance component in specialty coatings or inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.41
    methanol 90.09
    isopropanol 23.7
    water 0.13
    ethyl acetate 23.4
    n-propanol 32.4
    acetone 46.27
    n-butanol 28.29
    acetonitrile 12.67
    DMF 368.55
    toluene 10.24
    isobutanol 19.41
    1,4-dioxane 53.23
    methyl acetate 28.94
    THF 107.94
    2-butanone 38.05
    n-pentanol 15.88
    sec-butanol 22.17
    n-hexane 0.16
    ethylene glycol 26.87
    NMP 123.77
    cyclohexane 0.49
    DMSO 301.94
    n-butyl acetate 21.2
    n-octanol 8.79
    chloroform 5.28
    n-propyl acetate 17.17
    acetic acid 80.34
    dichloromethane 11.87
    cyclohexanone 66.15
    propylene glycol 19.49
    isopropyl acetate 18.61
    DMAc 261.95
    2-ethoxyethanol 66.12
    isopentanol 33.16
    n-heptane 0.35
    ethyl formate 14.09
    1,2-dichloroethane 27.77
    n-hexanol 20.18
    2-methoxyethanol 173.82
    isobutyl acetate 9.97
    tetrachloromethane 0.77
    n-pentyl acetate 15.77
    transcutol 319.85
    n-heptanol 13.13
    ethylbenzene 5.14
    MIBK 24.59
    2-propoxyethanol 65.0
    tert-butanol 44.28
    MTBE 21.21
    2-butoxyethanol 42.06
    propionic acid 31.19
    o-xylene 9.42
    formic acid 65.89
    diethyl ether 14.89
    m-xylene 8.2
    p-xylene 7.28
    chlorobenzene 10.31
    dimethyl carbonate 24.7
    n-octane 0.27
    formamide 164.76
    cyclopentanone 78.62
    2-pentanone 32.41
    anisole 18.36
    cyclopentyl methyl ether 32.12
    gamma-butyrolactone 78.81
    1-methoxy-2-propanol 98.17
    pyridine 59.05
    3-pentanone 22.94
    furfural 83.79
    n-dodecane 0.38
    diethylene glycol 80.45
    diisopropyl ether 3.99
    tert-amyl alcohol 36.59
    acetylacetone 55.74
    n-hexadecane 0.45
    acetophenone 27.01
    methyl propionate 29.24
    isopentyl acetate 22.93
    trichloroethylene 46.8
    n-nonanol 9.55
    cyclohexanol 27.34
    benzyl alcohol 28.51
    2-ethylhexanol 11.66
    isooctanol 11.41
    dipropyl ether 7.53
    1,2-dichlorobenzene 11.06
    ethyl lactate 17.59
    propylene carbonate 31.39
    n-methylformamide 89.28
    2-pentanol 16.91
    n-pentane 0.2
    1-propoxy-2-propanol 38.44
    1-methoxy-2-propyl acetate 37.04
    2-(2-methoxypropoxy) propanol 45.46
    mesitylene 4.59
    ε-caprolactone 53.24
    p-cymene 5.3
    epichlorohydrin 103.87
    1,1,1-trichloroethane 5.42
    2-aminoethanol 42.59
    morpholine-4-carbaldehyde 143.06
    sulfolane 141.25
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 42.6
    n-hexyl acetate 21.06
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 74.43
    sec-butyl acetate 11.6
    tert-butyl acetate 28.39
    decalin 0.61
    glycerin 62.83
    diglyme 138.6
    acrylic acid 44.39
    isopropyl myristate 8.33
    n-butyric acid 38.37
    acetyl acetate 17.65
    di(2-ethylhexyl) phthalate 12.39
    ethyl propionate 14.79
    nitromethane 122.96
    1,2-diethoxyethane 39.76
    benzonitrile 20.38
    trioctyl phosphate 8.67
    1-bromopropane 4.82
    gamma-valerolactone 120.53
    n-decanol 7.29
    triethyl phosphate 11.39
    4-methyl-2-pentanol 13.25
    propionitrile 12.37
    vinylene carbonate 32.79
    1,1,2-trichlorotrifluoroethane 79.08
    DMS 27.36
    cumene 4.42
    2-octanol 7.42
    2-hexanone 17.98
    octyl acetate 10.98
    limonene 7.24
    1,2-dimethoxyethane 99.04
    ethyl orthosilicate 10.98
    tributyl phosphate 10.18
    diacetone alcohol 62.52
    N,N-dimethylaniline 16.05
    acrylonitrile 27.57
    aniline 29.05
    1,3-propanediol 73.34
    bromobenzene 6.92
    dibromomethane 5.04
    1,1,2,2-tetrachloroethane 35.27
    2-methyl-cyclohexyl acetate 16.43
    tetrabutyl urea 16.49
    diisobutyl methanol 8.46
    2-phenylethanol 28.64
    styrene 6.04
    dioctyl adipate 15.52
    dimethyl sulfate 49.56
    ethyl butyrate 13.31
    methyl lactate 33.42
    butyl lactate 19.7
    diethyl carbonate 10.29
    propanediol butyl ether 40.35
    triethyl orthoformate 12.57
    p-tert-butyltoluene 5.32
    methyl 4-tert-butylbenzoate 28.36
    morpholine 87.96
    tert-butylamine 14.68
    n-dodecanol 5.49
    dimethoxymethane 109.3
    ethylene carbonate 24.25
    cyrene 44.33
    2-ethoxyethyl acetate 35.24
    2-ethylhexyl acetate 15.18
    1,2,4-trichlorobenzene 16.09
    4-methylpyridine 47.12
    dibutyl ether 8.75
    2,6-dimethyl-4-heptanol 8.46
    DEF 62.84
    dimethyl isosorbide 68.66
    tetrachloroethylene 24.22
    eugenol 33.27
    triacetin 28.85
    span 80 31.84
    1,4-butanediol 18.84
    1,1-dichloroethane 6.17
    2-methyl-1-pentanol 20.15
    methyl formate 56.19
    2-methyl-1-butanol 25.98
    n-decane 0.53
    butyronitrile 11.63
    3,7-dimethyl-1-octanol 11.03
    1-chlorooctane 3.21
    1-chlorotetradecane 1.6
    n-nonane 0.39
    undecane 0.45
    tert-butylcyclohexane 0.55
    cyclooctane 0.23
    cyclopentanol 24.44
    tetrahydropyran 33.24
    tert-amyl methyl ether 20.2
    2,5,8-trioxanonane 96.16
    1-hexene 1.41
    2-isopropoxyethanol 39.09
    2,2,2-trifluoroethanol 26.74
    methyl butyrate 20.72

    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