Npc226661

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  • Identifiers

    CAS number
    191999-64-1

    Molecular formula
    C20H22O4

    SMILES
    COC1=C2C=CC(=C1)CCCCC(=O)CCC3=CC(=C(C=C3)O)O2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 63.82%
    Phenolic 58.18%
    Vanilla 53.04%
    Spicy 50.84%
    Powdery 42.99%
    Woody 40.92%
    Creamy 35.85%
    Balsamic 35.78%
    Floral 33.37%
    Smoky 33.35%

     

    Flavor
    Sweet 68.7%
    Bitter 50.02%
    Coconut 42.05%
    Woody 41.41%
    Vanilla 39.39%
    Powdery 38.87%
    Tonka 37.87%
    Phenolic 36.93%
    Spicy 36.71%
    Spice 36.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    18.26 (strong base)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Melting point expt.

    • 178 - 180 °C

    Flash point

    • 205.03 ˚C est.

  • Synonyms

    • RefChem:1092909
    • Npc226661
    • (+)-Galeon
    • 191999-64-1
    • Galeon
    • 4-hydroxy-17-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
    • CHEMBL465859
    • SCHEMBL29374025
    • CHEBI:175168
    • DTXSID101118328
    • 2-Oxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),15,17,18-hexaen-10-one, 4-hydroxy-17-methoxy-, (R)-
    • 4-Hydroxy-17-methoxy-2-oxatricyclo[13.2.2.1~3,7~]icosa-1(17),3(20),4,6,15,18-hexaen-10-one
    • 4-hydroxy-18-methoxy-2-oxatricyclo[13.2.2.1^{3,7}]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
    • 191999-64-1

  • Applications

    Npc226661, CAS 191999-64-1, may be used as an intermediate in organic synthesis; may function as a solvent or processing aid in industrial manufacturing; may act as a plasticizer or plasticizing additive in polymer formulations; may serve as a stabilizer (thermal or UV) in materials; may be employed in coatings and inks as a solvent or processing additive; and may be used in cosmetics and personal care as a solvent or carrier for fragrances or active ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.0
    methanol 44.85
    isopropanol 21.92
    water 0.11
    ethyl acetate 119.56
    n-propanol 29.31
    acetone 136.02
    n-butanol 27.2
    acetonitrile 68.61
    DMF 121.61
    toluene 35.06
    isobutanol 20.1
    1,4-dioxane 152.71
    methyl acetate 99.79
    THF 205.11
    2-butanone 85.56
    n-pentanol 24.79
    sec-butanol 18.22
    n-hexane 1.2
    ethylene glycol 22.92
    NMP 59.93
    cyclohexane 3.96
    DMSO 314.79
    n-butyl acetate 69.94
    n-octanol 17.09
    chloroform 230.64
    n-propyl acetate 69.49
    acetic acid 189.73
    dichloromethane 249.55
    cyclohexanone 120.08
    propylene glycol 19.96
    isopropyl acetate 85.06
    DMAc 192.84
    2-ethoxyethanol 95.92
    isopentanol 35.48
    n-heptane 2.08
    ethyl formate 65.5
    1,2-dichloroethane 172.74
    n-hexanol 30.81
    2-methoxyethanol 126.15
    isobutyl acetate 54.82
    tetrachloromethane 18.49
    n-pentyl acetate 52.29
    transcutol 516.72
    n-heptanol 22.98
    ethylbenzene 22.16
    MIBK 62.43
    2-propoxyethanol 97.36
    tert-butanol 46.78
    MTBE 37.48
    2-butoxyethanol 74.95
    propionic acid 64.71
    o-xylene 25.02
    formic acid 66.62
    diethyl ether 50.98
    m-xylene 25.04
    p-xylene 26.77
    chlorobenzene 60.3
    dimethyl carbonate 80.71
    n-octane 1.68
    formamide 134.92
    cyclopentanone 132.44
    2-pentanone 70.6
    anisole 60.13
    cyclopentyl methyl ether 49.74
    gamma-butyrolactone 165.95
    1-methoxy-2-propanol 84.46
    pyridine 122.18
    3-pentanone 65.51
    furfural 185.8
    n-dodecane 2.24
    diethylene glycol 110.83
    diisopropyl ether 18.62
    tert-amyl alcohol 31.96
    acetylacetone 175.8
    n-hexadecane 2.54
    acetophenone 77.54
    methyl propionate 77.35
    isopentyl acetate 72.75
    trichloroethylene 297.14
    n-nonanol 20.85
    cyclohexanol 29.92
    benzyl alcohol 58.59
    2-ethylhexanol 24.86
    isooctanol 23.35
    dipropyl ether 30.07
    1,2-dichlorobenzene 67.35
    ethyl lactate 50.58
    propylene carbonate 105.84
    n-methylformamide 67.95
    2-pentanol 18.83
    n-pentane 1.21
    1-propoxy-2-propanol 64.31
    1-methoxy-2-propyl acetate 108.95
    2-(2-methoxypropoxy) propanol 95.22
    mesitylene 17.5
    ε-caprolactone 100.5
    p-cymene 18.96
    epichlorohydrin 219.28
    1,1,1-trichloroethane 101.04
    2-aminoethanol 31.51
    morpholine-4-carbaldehyde 152.21
    sulfolane 188.24
    2,2,4-trimethylpentane 2.12
    2-methyltetrahydrofuran 59.3
    n-hexyl acetate 57.99
    isooctane 1.84
    2-(2-butoxyethoxy)ethanol 126.48
    sec-butyl acetate 56.25
    tert-butyl acetate 89.94
    decalin 3.88
    glycerin 53.01
    diglyme 267.19
    acrylic acid 80.93
    isopropyl myristate 30.47
    n-butyric acid 97.61
    acetyl acetate 143.11
    di(2-ethylhexyl) phthalate 37.31
    ethyl propionate 60.8
    nitromethane 307.87
    1,2-diethoxyethane 122.19
    benzonitrile 73.58
    trioctyl phosphate 26.95
    1-bromopropane 48.94
    gamma-valerolactone 196.12
    n-decanol 17.15
    triethyl phosphate 45.2
    4-methyl-2-pentanol 21.73
    propionitrile 54.08
    vinylene carbonate 117.07
    1,1,2-trichlorotrifluoroethane 181.25
    DMS 92.28
    cumene 17.55
    2-octanol 15.41
    2-hexanone 54.03
    octyl acetate 36.39
    limonene 21.59
    1,2-dimethoxyethane 164.57
    ethyl orthosilicate 41.27
    tributyl phosphate 35.59
    diacetone alcohol 92.52
    N,N-dimethylaniline 37.59
    acrylonitrile 93.42
    aniline 53.3
    1,3-propanediol 56.17
    bromobenzene 61.49
    dibromomethane 129.98
    1,1,2,2-tetrachloroethane 197.67
    2-methyl-cyclohexyl acetate 54.13
    tetrabutyl urea 42.98
    diisobutyl methanol 21.11
    2-phenylethanol 58.15
    styrene 29.23
    dioctyl adipate 54.84
    dimethyl sulfate 116.55
    ethyl butyrate 59.16
    methyl lactate 65.18
    butyl lactate 51.47
    diethyl carbonate 57.23
    propanediol butyl ether 59.83
    triethyl orthoformate 52.19
    p-tert-butyltoluene 17.72
    methyl 4-tert-butylbenzoate 70.5
    morpholine 121.35
    tert-butylamine 20.76
    n-dodecanol 14.4
    dimethoxymethane 137.55
    ethylene carbonate 101.2
    cyrene 76.74
    2-ethoxyethyl acetate 108.57
    2-ethylhexyl acetate 53.07
    1,2,4-trichlorobenzene 75.08
    4-methylpyridine 80.83
    dibutyl ether 31.82
    2,6-dimethyl-4-heptanol 21.11
    DEF 75.83
    dimethyl isosorbide 138.82
    tetrachloroethylene 134.06
    eugenol 75.97
    triacetin 100.55
    span 80 64.83
    1,4-butanediol 23.21
    1,1-dichloroethane 101.12
    2-methyl-1-pentanol 31.17
    methyl formate 72.97
    2-methyl-1-butanol 25.52
    n-decane 3.19
    butyronitrile 41.63
    3,7-dimethyl-1-octanol 24.98
    1-chlorooctane 13.18
    1-chlorotetradecane 7.86
    n-nonane 2.37
    undecane 2.56
    tert-butylcyclohexane 3.24
    cyclooctane 1.73
    cyclopentanol 24.77
    tetrahydropyran 81.82
    tert-amyl methyl ether 29.77
    2,5,8-trioxanonane 193.15
    1-hexene 7.55
    2-isopropoxyethanol 68.38
    2,2,2-trifluoroethanol 70.64
    methyl butyrate 70.27

    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