5-Allyl-2-(pentyloxy)anisole

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  • Identifiers

    CAS number
    94291-83-5

    Molecular formula
    C15H22O2

    SMILES
    CCCCCOC1=C(C=C(C=C1)CC=C)OC

  • Odor profile

    Fragrance
    Spicy 76.48%
    Sweet 62.98%
    Floral 62.21%
    Balsamic 48.19%
    Herbal 46.16%
    Clove 45.28%
    Warm 41.27%
    Woody 41.1%
    Vanilla 31.55%
    Phenolic 30.92%

     

    Flavor
    Spicy 62.69%
    Sweet 59.25%
    Balsam 48.44%
    Spice 46.91%
    Clove 45.79%
    Fresh 44.89%
    Green 42.45%
    Floral 41.6%
    Anise 39.22%
    Herbal 38.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.31 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 121.21 ˚C est.

  • Synonyms

    • 5-Allyl-2-(pentyloxy)anisole
    • LC83KCP7CC
    • EINECS 304-910-1
    • 94291-83-5
    • UNII-LC83KCP7CC
    • 2-Methoxy-4-(2-propenyl)phenylpentyl ether
    • DTXSID90241400
    • 2-METHOXY-1-(PENTYLOXY)-4-(2-PROPEN-1-YL)BENZENE
    • BENZENE, 2-METHOXY-1-(PENTYLOXY)-4-(2-PROPEN-1-YL)-
    • SCHEMBL357725
    • CHEMBL4164495
    • DTXCID50163891
    • JEQOQDNQQSEKIA-UHFFFAOYSA-N
    • NS00040376
    • 304-910-1

  • Applications

    5-Allyl-2-(pentyloxy)anisole (CAS 94291-83-5) is used as a fragrance ingredient in perfumery and cosmetic formulations, serving as an odorant and as a potential scent modifier or fixative; it is commonly evaluated as an aroma-building intermediate in the synthesis of other fragrance compounds for flavor and fragrance applications; in household products such as cleaners and detergents, it may be applied as a fragrance additive to impart or stabilize specific scent profiles; in coatings and inks, it can function as a fragrance component to enhance odor during application or curing; and in industrial manufacturing it may be utilized as a precursor for more complex aroma molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7477.52
    methanol 5810.45
    isopropanol 4876.52
    water 0.26
    ethyl acetate 13471.98
    n-propanol 5873.2
    acetone 12237.1
    n-butanol 6107.22
    acetonitrile 9297.88
    DMF 6218.55
    toluene 3202.53
    isobutanol 4313.21
    1,4-dioxane 9123.03
    methyl acetate 8642.8
    THF 7547.14
    2-butanone 7698.0
    n-pentanol 2796.34
    sec-butanol 4400.92
    n-hexane 853.77
    ethylene glycol 678.64
    NMP 3337.14
    cyclohexane 2626.37
    DMSO 8421.39
    n-butyl acetate 5936.71
    n-octanol 897.4
    chloroform 15440.48
    n-propyl acetate 4967.9
    acetic acid 5702.04
    dichloromethane 19229.13
    cyclohexanone 9020.27
    propylene glycol 1064.57
    isopropyl acetate 5762.05
    DMAc 3357.46
    2-ethoxyethanol 3935.56
    isopentanol 4178.16
    n-heptane 436.09
    ethyl formate 4741.13
    1,2-dichloroethane 16872.98
    n-hexanol 3219.54
    2-methoxyethanol 7029.45
    isobutyl acetate 2251.28
    tetrachloromethane 2472.83
    n-pentyl acetate 2234.23
    transcutol 8633.04
    n-heptanol 886.12
    ethylbenzene 1346.85
    MIBK 2970.3
    2-propoxyethanol 4056.58
    tert-butanol 5664.55
    MTBE 7288.49
    2-butoxyethanol 1584.88
    propionic acid 3926.97
    o-xylene 1354.8
    formic acid 949.37
    diethyl ether 12431.09
    m-xylene 1620.83
    p-xylene 1449.84
    chlorobenzene 4887.35
    dimethyl carbonate 2244.6
    n-octane 179.32
    formamide 2096.66
    cyclopentanone 7053.22
    2-pentanone 7447.0
    anisole 2480.24
    cyclopentyl methyl ether 5190.65
    gamma-butyrolactone 6678.29
    1-methoxy-2-propanol 4419.11
    pyridine 7500.91
    3-pentanone 5228.25
    furfural 4648.45
    n-dodecane 103.73
    diethylene glycol 2281.46
    diisopropyl ether 2384.55
    tert-amyl alcohol 4250.5
    acetylacetone 6529.39
    n-hexadecane 127.66
    acetophenone 1976.78
    methyl propionate 7024.02
    isopentyl acetate 3781.7
    trichloroethylene 20829.66
    n-nonanol 780.32
    cyclohexanol 5535.83
    benzyl alcohol 1944.63
    2-ethylhexanol 1684.85
    isooctanol 766.89
    dipropyl ether 2992.75
    1,2-dichlorobenzene 3568.61
    ethyl lactate 1093.33
    propylene carbonate 3913.39
    n-methylformamide 3592.44
    2-pentanol 4239.37
    n-pentane 991.38
    1-propoxy-2-propanol 2695.27
    1-methoxy-2-propyl acetate 3364.98
    2-(2-methoxypropoxy) propanol 1106.75
    mesitylene 933.74
    ε-caprolactone 6731.89
    p-cymene 638.93
    epichlorohydrin 11351.17
    1,1,1-trichloroethane 11548.18
    2-aminoethanol 1741.74
    morpholine-4-carbaldehyde 3682.21
    sulfolane 5767.82
    2,2,4-trimethylpentane 340.45
    2-methyltetrahydrofuran 7185.92
    n-hexyl acetate 2587.31
    isooctane 288.75
    2-(2-butoxyethoxy)ethanol 1974.27
    sec-butyl acetate 2667.88
    tert-butyl acetate 4349.7
    decalin 552.38
    glycerin 1139.36
    diglyme 4299.09
    acrylic acid 2626.57
    isopropyl myristate 824.48
    n-butyric acid 7840.38
    acetyl acetate 5898.84
    di(2-ethylhexyl) phthalate 529.55
    ethyl propionate 3895.66
    nitromethane 9880.66
    1,2-diethoxyethane 5342.61
    benzonitrile 2799.25
    trioctyl phosphate 466.69
    1-bromopropane 9140.35
    gamma-valerolactone 7105.34
    n-decanol 536.86
    triethyl phosphate 796.93
    4-methyl-2-pentanol 1564.24
    propionitrile 5618.8
    vinylene carbonate 3429.46
    1,1,2-trichlorotrifluoroethane 5116.98
    DMS 2159.71
    cumene 674.76
    2-octanol 680.11
    2-hexanone 3646.86
    octyl acetate 1028.39
    limonene 1203.05
    1,2-dimethoxyethane 6022.16
    ethyl orthosilicate 837.04
    tributyl phosphate 709.08
    diacetone alcohol 3096.36
    N,N-dimethylaniline 1142.4
    acrylonitrile 5706.62
    aniline 3520.37
    1,3-propanediol 3331.82
    bromobenzene 5661.87
    dibromomethane 13064.81
    1,1,2,2-tetrachloroethane 15911.8
    2-methyl-cyclohexyl acetate 1386.54
    tetrabutyl urea 823.38
    diisobutyl methanol 830.74
    2-phenylethanol 1828.91
    styrene 2076.89
    dioctyl adipate 1028.5
    dimethyl sulfate 2046.71
    ethyl butyrate 3138.27
    methyl lactate 1532.49
    butyl lactate 1218.09
    diethyl carbonate 1753.02
    propanediol butyl ether 1291.08
    triethyl orthoformate 1529.07
    p-tert-butyltoluene 572.06
    methyl 4-tert-butylbenzoate 1033.14
    morpholine 10979.49
    tert-butylamine 3674.56
    n-dodecanol 406.9
    dimethoxymethane 5924.28
    ethylene carbonate 3545.71
    cyrene 924.59
    2-ethoxyethyl acetate 3056.0
    2-ethylhexyl acetate 2809.34
    1,2,4-trichlorobenzene 3540.87
    4-methylpyridine 6577.44
    dibutyl ether 2208.06
    2,6-dimethyl-4-heptanol 830.74
    DEF 6301.84
    dimethyl isosorbide 1790.99
    tetrachloroethylene 9651.91
    eugenol 974.06
    triacetin 1667.41
    span 80 1085.18
    1,4-butanediol 1083.44
    1,1-dichloroethane 14578.97
    2-methyl-1-pentanol 2508.23
    methyl formate 3039.2
    2-methyl-1-butanol 4251.8
    n-decane 200.02
    butyronitrile 6720.53
    3,7-dimethyl-1-octanol 996.96
    1-chlorooctane 1002.82
    1-chlorotetradecane 322.47
    n-nonane 219.8
    undecane 135.45
    tert-butylcyclohexane 410.92
    cyclooctane 617.63
    cyclopentanol 3349.29
    tetrahydropyran 11770.72
    tert-amyl methyl ether 3757.69
    2,5,8-trioxanonane 2138.01
    1-hexene 2749.57
    2-isopropoxyethanol 2476.77
    2,2,2-trifluoroethanol 1327.85
    methyl butyrate 5076.76

    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