Anisole, o-octyl-

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  • Identifiers

    CAS number
    20056-59-1

    Molecular formula
    C15H24O

    SMILES
    CCCCCCCCC1=CC=CC=C1OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 45.81%
    Waxy 39.46%
    Sweet 35.77%
    Herbal 32.83%
    Fatty 32.24%
    Oily 31.47%
    Balsamic 30.18%
    Floral 25.72%
    Earthy 24.11%
    Burnt 24.09%

     

    Flavor
    Waxy 34.84%
    Fruity 29.09%
    Mild 28.19%
    Oily 27.59%
    Fatty 26.57%
    Balsam 25.88%
    Fresh 25.56%
    Earthy 24.35%
    Green 24.2%
    Sweet 24.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.87 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 119.36 ˚C est.

  • Synonyms

    • Anisole, o-octyl-
    • 1-Methoxy-2-octylbenzene
    • 20056-59-1
    • o-1-octylanisole
    • 1-methoxy-2-octyl-benzene
    • 1-Methoxy-2-octylbenzene #
    • SCHEMBL8411466
    • SCHEMBL8489424
    • SCHEMBL29370670
    • DTXSID60342054
    • JMDVVUPNWNPATJ-UHFFFAOYSA-N
    • 20056-59-1

  • Applications

    Anisole, o-octyl- (CAS 20056-59-1) is primarily used in fragrance chemistry as an odorant and may act as a fixative in perfumery, contributing a woody, balsamic note to formulations. It is also employed in cosmetics and personal care as a fragrance ingredient and processing aid. In household products, it can serve as a scent additive in air fresheners, cleaners, and detergents. In industrial manufacturing, it may function as a solvent or a chemical intermediate for the synthesis of other fragrance compounds and specialty chemicals. It can also act as a processing aid in coatings and inks where a persistent aroma and relatively high boiling point are desirable. As with all fragrance-related materials, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20278.87
    methanol 13311.13
    isopropanol 16390.8
    water 0.06
    ethyl acetate 38589.61
    n-propanol 18490.19
    acetone 38235.38
    n-butanol 16542.08
    acetonitrile 30593.21
    DMF 12106.77
    toluene 8024.68
    isobutanol 13041.69
    1,4-dioxane 29051.11
    methyl acetate 21685.21
    THF 26020.53
    2-butanone 25095.62
    n-pentanol 9052.46
    sec-butanol 13718.39
    n-hexane 4185.15
    ethylene glycol 647.47
    NMP 5022.87
    cyclohexane 9186.29
    DMSO 14890.63
    n-butyl acetate 22123.66
    n-octanol 2134.59
    chloroform 34138.83
    n-propyl acetate 18007.75
    acetic acid 7126.86
    dichloromethane 49949.26
    cyclohexanone 26429.0
    propylene glycol 1316.3
    isopropyl acetate 16870.1
    DMAc 5982.83
    2-ethoxyethanol 9057.39
    isopentanol 12317.44
    n-heptane 2135.99
    ethyl formate 12346.32
    1,2-dichloroethane 43169.54
    n-hexanol 9688.96
    2-methoxyethanol 14433.66
    isobutyl acetate 8006.78
    tetrachloromethane 6803.01
    n-pentyl acetate 7360.38
    transcutol 21256.9
    n-heptanol 2364.2
    ethylbenzene 3344.0
    MIBK 9390.14
    2-propoxyethanol 10951.65
    tert-butanol 17004.28
    MTBE 29121.52
    2-butoxyethanol 4121.12
    propionic acid 7956.81
    o-xylene 2816.4
    formic acid 742.54
    diethyl ether 55133.82
    m-xylene 3490.65
    p-xylene 3386.25
    chlorobenzene 9848.48
    dimethyl carbonate 3425.1
    n-octane 658.56
    formamide 2056.91
    cyclopentanone 17773.18
    2-pentanone 24113.57
    anisole 5925.98
    cyclopentyl methyl ether 17747.15
    gamma-butyrolactone 15103.06
    1-methoxy-2-propanol 9752.45
    pyridine 20110.76
    3-pentanone 15573.09
    furfural 7966.92
    n-dodecane 291.95
    diethylene glycol 3396.95
    diisopropyl ether 8713.86
    tert-amyl alcohol 11224.71
    acetylacetone 14099.84
    n-hexadecane 354.33
    acetophenone 4077.56
    methyl propionate 16610.65
    isopentyl acetate 13251.9
    trichloroethylene 41814.04
    n-nonanol 1881.36
    cyclohexanol 12468.6
    benzyl alcohol 3519.56
    2-ethylhexanol 5270.79
    isooctanol 2056.43
    dipropyl ether 15842.74
    1,2-dichlorobenzene 6724.52
    ethyl lactate 2139.41
    propylene carbonate 8233.78
    n-methylformamide 6853.28
    2-pentanol 11533.62
    n-pentane 4158.58
    1-propoxy-2-propanol 8558.62
    1-methoxy-2-propyl acetate 8806.73
    2-(2-methoxypropoxy) propanol 2027.81
    mesitylene 2052.84
    ε-caprolactone 17811.17
    p-cymene 1534.28
    epichlorohydrin 26198.78
    1,1,1-trichloroethane 28589.99
    2-aminoethanol 2689.99
    morpholine-4-carbaldehyde 7994.48
    sulfolane 10723.76
    2,2,4-trimethylpentane 881.85
    2-methyltetrahydrofuran 27217.34
    n-hexyl acetate 7079.9
    isooctane 854.37
    2-(2-butoxyethoxy)ethanol 3741.85
    sec-butyl acetate 9482.94
    tert-butyl acetate 13026.18
    decalin 1445.42
    glycerin 1145.87
    diglyme 9944.82
    acrylic acid 3795.37
    isopropyl myristate 1947.43
    n-butyric acid 17017.17
    acetyl acetate 11029.85
    di(2-ethylhexyl) phthalate 938.81
    ethyl propionate 13121.44
    nitromethane 17547.6
    1,2-diethoxyethane 21035.92
    benzonitrile 6031.64
    trioctyl phosphate 878.96
    1-bromopropane 32634.96
    gamma-valerolactone 17064.53
    n-decanol 1237.27
    triethyl phosphate 1803.91
    4-methyl-2-pentanol 4231.89
    propionitrile 22941.52
    vinylene carbonate 6475.99
    1,1,2-trichlorotrifluoroethane 8044.22
    DMS 4005.17
    cumene 1552.1
    2-octanol 1700.99
    2-hexanone 13435.19
    octyl acetate 2287.42
    limonene 3212.67
    1,2-dimethoxyethane 20796.11
    ethyl orthosilicate 2157.62
    tributyl phosphate 1363.6
    diacetone alcohol 6709.4
    N,N-dimethylaniline 2322.55
    acrylonitrile 16121.1
    aniline 7452.73
    1,3-propanediol 5460.16
    bromobenzene 11467.05
    dibromomethane 36287.53
    1,1,2,2-tetrachloroethane 30950.33
    2-methyl-cyclohexyl acetate 3496.12
    tetrabutyl urea 1584.25
    diisobutyl methanol 2488.48
    2-phenylethanol 3494.24
    styrene 5133.04
    dioctyl adipate 2181.07
    dimethyl sulfate 3073.81
    ethyl butyrate 11987.49
    methyl lactate 2311.59
    butyl lactate 2891.02
    diethyl carbonate 5131.84
    propanediol butyl ether 2114.73
    triethyl orthoformate 5160.96
    p-tert-butyltoluene 1408.74
    methyl 4-tert-butylbenzoate 1909.82
    morpholine 35963.44
    tert-butylamine 12937.66
    n-dodecanol 907.86
    dimethoxymethane 14712.66
    ethylene carbonate 8101.11
    cyrene 1354.8
    2-ethoxyethyl acetate 8420.15
    2-ethylhexyl acetate 9171.35
    1,2,4-trichlorobenzene 6344.23
    4-methylpyridine 17762.86
    dibutyl ether 9799.98
    2,6-dimethyl-4-heptanol 2488.48
    DEF 18141.18
    dimethyl isosorbide 3499.78
    tetrachloroethylene 19045.82
    eugenol 1713.03
    triacetin 3513.51
    span 80 2005.71
    1,4-butanediol 1711.05
    1,1-dichloroethane 41220.61
    2-methyl-1-pentanol 6719.25
    methyl formate 4984.35
    2-methyl-1-butanol 11053.72
    n-decane 637.44
    butyronitrile 25799.08
    3,7-dimethyl-1-octanol 2501.3
    1-chlorooctane 2738.83
    1-chlorotetradecane 776.56
    n-nonane 752.43
    undecane 402.68
    tert-butylcyclohexane 1184.17
    cyclooctane 1978.06
    cyclopentanol 8741.65
    tetrahydropyran 50063.46
    tert-amyl methyl ether 13042.74
    2,5,8-trioxanonane 4060.58
    1-hexene 13426.21
    2-isopropoxyethanol 6393.17
    2,2,2-trifluoroethanol 1378.67
    methyl butyrate 18674.03

    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