Artemidinol

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  • Identifiers

    CAS number
    62268-43-3

    Molecular formula
    C13H12O3

    SMILES
    CC/C=C/C1=CC2=C(C=CC=C2O)C(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.84%
    Phenolic 47.02%
    Sweet 43.2%
    Fruity 36.02%
    Herbal 31.75%
    Woody 29.89%
    Coconut 29.12%
    Balsamic 28.02%
    Vanilla 26.96%
    Burnt 26.91%

     

    Flavor
    Bitter 63.13%
    Spicy 27.28%
    Herbal 22.44%
    Spice 22.02%
    Woody 21.19%
    Lovage 21.14%
    Curry 19.95%
    Cedarleaf 19.62%
    Nitrile 19.61%
    Parsley 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.28 (weak base)

    Molecular weight
    216.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 171.0 ˚C est.

  • Synonyms

    • artemidinol
    • 62268-43-3
    • CHEMBL471176
    • CHEBI:174091
    • DTXSID401223415
    • (e)-3-(buten-1-yl)-5-hydroxyisocoumarin
    • DB-314952
    • 3-[(E)-but-1-enyl]-5-hydroxyisochromen-1-one
    • 3-[(E)-1-butenyl ]-5-hydroxy-1h-2-benzopyran-1-one
    • 3-(1E)-1-Buten-1-yl-5-hydroxy-1H-2-benzopyran-1-one
    • 3-[(1E)-But-1-en-1-yl]-5-hydroxy-1H-2-benzopyran-1-one
    • 62268-43-3

  • Applications

    Artemidinol, CAS 62268-43-3, is a multifunctional chemical with broad industrial applicability. In fragrance and cosmetics, it can serve as an aroma ingredient and a fixative or odorant; in household and personal care formulations, it may be used as a solvent or formulation additive; in coatings and inks as well as polymer and plastics systems, it can be employed as a solvent or processing aid in formulations; in industrial manufacturing and as a chemical intermediate, it may act as a solvent or intermediate for specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.18
    methanol 58.3
    isopropanol 23.96
    water 0.01
    ethyl acetate 54.36
    n-propanol 47.93
    acetone 87.72
    n-butanol 40.96
    acetonitrile 34.14
    DMF 637.08
    toluene 68.54
    isobutanol 31.03
    1,4-dioxane 92.57
    methyl acetate 86.95
    THF 193.79
    2-butanone 131.21
    n-pentanol 23.74
    sec-butanol 33.28
    n-hexane 0.39
    ethylene glycol 10.57
    NMP 210.61
    cyclohexane 0.85
    DMSO 279.08
    n-butyl acetate 56.8
    n-octanol 7.86
    chloroform 66.7
    n-propyl acetate 39.34
    acetic acid 39.86
    dichloromethane 115.96
    cyclohexanone 120.13
    propylene glycol 12.33
    isopropyl acetate 38.82
    DMAc 478.76
    2-ethoxyethanol 63.46
    isopentanol 44.85
    n-heptane 0.42
    ethyl formate 23.64
    1,2-dichloroethane 153.01
    n-hexanol 29.63
    2-methoxyethanol 164.23
    isobutyl acetate 27.61
    tetrachloromethane 2.65
    n-pentyl acetate 27.64
    transcutol 288.72
    n-heptanol 11.91
    ethylbenzene 24.66
    MIBK 51.29
    2-propoxyethanol 91.54
    tert-butanol 43.59
    MTBE 58.49
    2-butoxyethanol 43.77
    propionic acid 34.32
    o-xylene 32.88
    formic acid 16.11
    diethyl ether 48.35
    m-xylene 30.33
    p-xylene 28.02
    chlorobenzene 52.26
    dimethyl carbonate 48.87
    n-octane 0.31
    formamide 56.59
    cyclopentanone 153.13
    2-pentanone 77.09
    anisole 67.85
    cyclopentyl methyl ether 70.43
    gamma-butyrolactone 123.78
    1-methoxy-2-propanol 104.96
    pyridine 200.83
    3-pentanone 72.2
    furfural 142.56
    n-dodecane 0.49
    diethylene glycol 68.26
    diisopropyl ether 10.17
    tert-amyl alcohol 49.0
    acetylacetone 92.23
    n-hexadecane 0.6
    acetophenone 59.95
    methyl propionate 77.47
    isopentyl acetate 60.63
    trichloroethylene 272.36
    n-nonanol 9.23
    cyclohexanol 32.37
    benzyl alcohol 55.29
    2-ethylhexanol 18.68
    isooctanol 11.88
    dipropyl ether 17.35
    1,2-dichlorobenzene 43.2
    ethyl lactate 20.56
    propylene carbonate 47.11
    n-methylformamide 117.16
    2-pentanol 20.96
    n-pentane 0.39
    1-propoxy-2-propanol 51.6
    1-methoxy-2-propyl acetate 72.15
    2-(2-methoxypropoxy) propanol 59.36
    mesitylene 12.68
    ε-caprolactone 87.92
    p-cymene 11.36
    epichlorohydrin 274.73
    1,1,1-trichloroethane 44.83
    2-aminoethanol 28.48
    morpholine-4-carbaldehyde 218.74
    sulfolane 191.16
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 104.31
    n-hexyl acetate 34.81
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 76.9
    sec-butyl acetate 31.74
    tert-butyl acetate 57.23
    decalin 1.75
    glycerin 27.32
    diglyme 172.94
    acrylic acid 37.11
    isopropyl myristate 14.31
    n-butyric acid 45.45
    acetyl acetate 29.14
    di(2-ethylhexyl) phthalate 18.44
    ethyl propionate 38.43
    nitromethane 118.65
    1,2-diethoxyethane 70.85
    benzonitrile 52.78
    trioctyl phosphate 10.73
    1-bromopropane 45.73
    gamma-valerolactone 214.42
    n-decanol 7.48
    triethyl phosphate 20.5
    4-methyl-2-pentanol 16.77
    propionitrile 45.23
    vinylene carbonate 54.49
    1,1,2-trichlorotrifluoroethane 110.07
    DMS 57.79
    cumene 13.71
    2-octanol 7.58
    2-hexanone 47.58
    octyl acetate 18.01
    limonene 14.89
    1,2-dimethoxyethane 150.48
    ethyl orthosilicate 19.21
    tributyl phosphate 15.19
    diacetone alcohol 82.78
    N,N-dimethylaniline 42.61
    acrylonitrile 82.06
    aniline 84.83
    1,3-propanediol 49.25
    bromobenzene 52.41
    dibromomethane 59.03
    1,1,2,2-tetrachloroethane 150.65
    2-methyl-cyclohexyl acetate 29.41
    tetrabutyl urea 22.91
    diisobutyl methanol 12.54
    2-phenylethanol 51.26
    styrene 34.13
    dioctyl adipate 24.33
    dimethyl sulfate 86.12
    ethyl butyrate 30.34
    methyl lactate 37.79
    butyl lactate 25.63
    diethyl carbonate 22.61
    propanediol butyl ether 33.51
    triethyl orthoformate 23.68
    p-tert-butyltoluene 11.06
    methyl 4-tert-butylbenzoate 40.79
    morpholine 178.04
    tert-butylamine 19.64
    n-dodecanol 6.04
    dimethoxymethane 194.09
    ethylene carbonate 38.68
    cyrene 47.03
    2-ethoxyethyl acetate 58.12
    2-ethylhexyl acetate 43.1
    1,2,4-trichlorobenzene 59.17
    4-methylpyridine 179.54
    dibutyl ether 16.6
    2,6-dimethyl-4-heptanol 12.54
    DEF 135.22
    dimethyl isosorbide 101.75
    tetrachloroethylene 70.41
    eugenol 48.86
    triacetin 37.26
    span 80 33.48
    1,4-butanediol 12.2
    1,1-dichloroethane 59.46
    2-methyl-1-pentanol 32.59
    methyl formate 64.59
    2-methyl-1-butanol 45.66
    n-decane 0.62
    butyronitrile 37.35
    3,7-dimethyl-1-octanol 14.73
    1-chlorooctane 5.12
    1-chlorotetradecane 2.97
    n-nonane 0.46
    undecane 0.55
    tert-butylcyclohexane 1.68
    cyclooctane 0.31
    cyclopentanol 29.13
    tetrahydropyran 85.76
    tert-amyl methyl ether 55.85
    2,5,8-trioxanonane 113.31
    1-hexene 6.0
    2-isopropoxyethanol 43.39
    2,2,2-trifluoroethanol 11.36
    methyl butyrate 50.48

    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