Phenol, 5-allyl-2-methoxy-, acetate

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  • Identifiers

    CAS number
    1941-09-9

    Molecular formula
    C12H14O3

    SMILES
    CC(=O)OC1=C(C=CC(=C1)CC=C)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.31%
    Spicy 73.89%
    Woody 72.06%
    Fruity 67.75%
    Floral 65.56%
    Clove 54.31%
    Balsamic 48.51%
    Warm 42.19%
    Powdery 39.84%
    Dry 38.96%

     

    Flavor
    Sweet 88.75%
    Floral 72.04%
    Woody 71.1%
    Clove 58.45%
    Spice 57.83%
    Spicy 57.68%
    Powdery 43.09%
    Fresh 39.55%
    Vanilla 37.58%
    Balsam 36.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.67 (neutral)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 120.49 ˚C est.

  • Synonyms

    • Phenol, 5-allyl-2-methoxy-, acetate
    • 1941-09-9
    • RefChem:1094922
    • 5-Allyl-2-methoxyphenol acetate
    • 3-Allyl-6-methoxyphenyl acetate
    • 2-Methoxy-5-(prop-2-en-1-yl)phenyl acetate
    • SCHEMBL16679994
    • DTXSID80941124
    • ITFUXZJPFSNXBV-UHFFFAOYSA-N
    • 5-Allyl-2-methoxyphenyl acetate #
    • 1941-09-9

  • Applications

    Phenol, 5-allyl-2-methoxy-, acetate (CAS 1941-09-9) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing a spicy/floral character and sometimes serving as a fragrance fixative in formulations. It is commonly evaluated as an aroma compound in flavor and food-processing applications. In household products such as cleaners, detergents and air fresheners, it provides aroma performance as a fragrance additive. In industrial manufacturing, it may be used as an intermediate in the synthesis of fragrance components and other specialty chemicals. Its use, like many specialty aroma chemicals, is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 359.9
    methanol 554.91
    isopropanol 188.42
    water 0.45
    ethyl acetate 273.63
    n-propanol 223.28
    acetone 393.49
    n-butanol 200.35
    acetonitrile 247.1
    DMF 645.0
    toluene 117.91
    isobutanol 141.21
    1,4-dioxane 511.89
    methyl acetate 288.18
    THF 664.95
    2-butanone 247.96
    n-pentanol 141.58
    sec-butanol 151.37
    n-hexane 8.6
    ethylene glycol 116.29
    NMP 449.66
    cyclohexane 26.6
    DMSO 703.28
    n-butyl acetate 174.86
    n-octanol 64.51
    chloroform 582.15
    n-propyl acetate 144.7
    acetic acid 344.13
    dichloromethane 743.73
    cyclohexanone 325.96
    propylene glycol 121.16
    isopropyl acetate 118.58
    DMAc 504.01
    2-ethoxyethanol 274.93
    isopentanol 157.04
    n-heptane 8.29
    ethyl formate 197.04
    1,2-dichloroethane 430.84
    n-hexanol 134.91
    2-methoxyethanol 510.63
    isobutyl acetate 94.12
    tetrachloromethane 48.59
    n-pentyl acetate 78.31
    transcutol 629.99
    n-heptanol 54.41
    ethylbenzene 73.29
    MIBK 110.42
    2-propoxyethanol 252.43
    tert-butanol 267.37
    MTBE 162.28
    2-butoxyethanol 117.25
    propionic acid 181.5
    o-xylene 78.18
    formic acid 141.95
    diethyl ether 182.03
    m-xylene 83.94
    p-xylene 89.42
    chlorobenzene 176.67
    dimethyl carbonate 131.05
    n-octane 4.87
    formamide 240.03
    cyclopentanone 395.74
    2-pentanone 194.33
    anisole 175.2
    cyclopentyl methyl ether 230.52
    gamma-butyrolactone 454.99
    1-methoxy-2-propanol 284.68
    pyridine 307.77
    3-pentanone 146.16
    furfural 399.66
    n-dodecane 6.62
    diethylene glycol 248.69
    diisopropyl ether 41.38
    tert-amyl alcohol 185.67
    acetylacetone 236.9
    n-hexadecane 7.52
    acetophenone 154.23
    methyl propionate 231.39
    isopentyl acetate 142.14
    trichloroethylene 707.03
    n-nonanol 57.86
    cyclohexanol 189.61
    benzyl alcohol 163.82
    2-ethylhexanol 78.8
    isooctanol 45.86
    dipropyl ether 83.02
    1,2-dichlorobenzene 156.07
    ethyl lactate 86.23
    propylene carbonate 255.32
    n-methylformamide 271.21
    2-pentanol 105.52
    n-pentane 7.85
    1-propoxy-2-propanol 145.46
    1-methoxy-2-propyl acetate 163.36
    2-(2-methoxypropoxy) propanol 153.73
    mesitylene 49.18
    ε-caprolactone 271.25
    p-cymene 46.44
    epichlorohydrin 569.53
    1,1,1-trichloroethane 267.79
    2-aminoethanol 169.08
    morpholine-4-carbaldehyde 449.65
    sulfolane 500.96
    2,2,4-trimethylpentane 9.33
    2-methyltetrahydrofuran 379.56
    n-hexyl acetate 135.26
    isooctane 6.26
    2-(2-butoxyethoxy)ethanol 199.25
    sec-butyl acetate 94.06
    tert-butyl acetate 136.08
    decalin 18.19
    glycerin 179.78
    diglyme 379.22
    acrylic acid 170.64
    isopropyl myristate 56.18
    n-butyric acid 224.08
    acetyl acetate 172.31
    di(2-ethylhexyl) phthalate 66.22
    ethyl propionate 129.71
    nitromethane 483.63
    1,2-diethoxyethane 190.74
    benzonitrile 162.17
    trioctyl phosphate 46.7
    1-bromopropane 190.32
    gamma-valerolactone 450.18
    n-decanol 46.45
    triethyl phosphate 75.94
    4-methyl-2-pentanol 58.83
    propionitrile 161.9
    vinylene carbonate 238.03
    1,1,2-trichlorotrifluoroethane 339.1
    DMS 155.76
    cumene 49.49
    2-octanol 38.27
    2-hexanone 134.07
    octyl acetate 72.77
    limonene 66.82
    1,2-dimethoxyethane 425.8
    ethyl orthosilicate 71.58
    tributyl phosphate 62.31
    diacetone alcohol 172.37
    N,N-dimethylaniline 115.34
    acrylonitrile 211.35
    aniline 165.06
    1,3-propanediol 228.42
    bromobenzene 183.96
    dibromomethane 423.7
    1,1,2,2-tetrachloroethane 530.63
    2-methyl-cyclohexyl acetate 109.3
    tetrabutyl urea 84.08
    diisobutyl methanol 48.21
    2-phenylethanol 144.67
    styrene 95.99
    dioctyl adipate 94.74
    dimethyl sulfate 198.55
    ethyl butyrate 128.6
    methyl lactate 122.87
    butyl lactate 79.28
    diethyl carbonate 106.8
    propanediol butyl ether 121.5
    triethyl orthoformate 90.29
    p-tert-butyltoluene 44.44
    methyl 4-tert-butylbenzoate 119.34
    morpholine 550.65
    tert-butylamine 127.75
    n-dodecanol 38.54
    dimethoxymethane 394.31
    ethylene carbonate 201.57
    cyrene 155.34
    2-ethoxyethyl acetate 135.76
    2-ethylhexyl acetate 114.12
    1,2,4-trichlorobenzene 190.14
    4-methylpyridine 300.67
    dibutyl ether 85.47
    2,6-dimethyl-4-heptanol 48.21
    DEF 240.05
    dimethyl isosorbide 243.54
    tetrachloroethylene 298.82
    eugenol 129.88
    triacetin 141.07
    span 80 117.41
    1,4-butanediol 96.7
    1,1-dichloroethane 314.66
    2-methyl-1-pentanol 130.28
    methyl formate 268.72
    2-methyl-1-butanol 141.48
    n-decane 9.2
    butyronitrile 178.57
    3,7-dimethyl-1-octanol 68.07
    1-chlorooctane 46.33
    1-chlorotetradecane 23.11
    n-nonane 8.07
    undecane 7.65
    tert-butylcyclohexane 16.05
    cyclooctane 7.19
    cyclopentanol 187.79
    tetrahydropyran 386.37
    tert-amyl methyl ether 121.16
    2,5,8-trioxanonane 268.35
    1-hexene 51.57
    2-isopropoxyethanol 168.19
    2,2,2-trifluoroethanol 103.97
    methyl butyrate 175.17

    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