4-Allyl-2-methoxyphenyl butyrate

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  • Identifiers

    CAS number
    65591-12-0

    Molecular formula
    C14H18O3

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

  • Odor profile

    Fruity 76.84%
    Spicy 67.53%
    Sweet 66.48%
    Woody 60.67%
    Floral 46.75%
    Clove 43.31%
    Balsamic 40.72%
    Warm 40.16%
    Herbal 37.46%
    Dry 35.11%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point est.
    129.2 ˚C

  • Synonyms

    • 4-Allyl-2-methoxyphenyl butyrate
    • 65591-12-0
    • eugenyl butyrate
    • (2-methoxy-4-prop-2-enylphenyl) butanoate
    • EINECS 265-838-3
    • AI3-20981
    • Butanoic acid, 2-methoxy-4-(2-propenyl)phenyl ester
    • SCHEMBL9309716
    • CHEMBL4161128
    • DTXSID60984170
    • DVYYXRMJMMFFJQ-UHFFFAOYSA-N
    • NS00055932
    • 2-METHOXY-4-(PROP-2-EN-1-YL)PHENYL BUTANOATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1456.57
    methanol 1891.35
    isopropanol 762.83
    water 0.22
    ethyl acetate 1983.71
    n-propanol 1127.55
    acetone 2426.74
    n-butanol 1053.38
    acetonitrile 1731.47
    DMF 2817.61
    toluene 715.12
    isobutanol 763.48
    1,4-dioxane 1415.28
    methyl acetate 1506.93
    THF 1812.13
    2-butanone 1672.12
    n-pentanol 593.37
    sec-butanol 844.33
    n-hexane 49.69
    ethylene glycol 216.48
    NMP 1844.66
    cyclohexane 143.2
    DMSO 2642.54
    n-butyl acetate 914.68
    n-octanol 174.62
    chloroform 3481.16
    n-propyl acetate 782.24
    acetic acid 1561.92
    dichloromethane 4255.99
    cyclohexanone 1986.18
    propylene glycol 300.88
    isopropyl acetate 867.26
    DMAc 1819.02
    2-ethoxyethanol 874.21
    isopentanol 745.0
    n-heptane 19.43
    ethyl formate 927.64
    1,2-dichloroethane 3266.97
    n-hexanol 502.64
    2-methoxyethanol 1632.38
    isobutyl acetate 422.66
    tetrachloromethane 287.58
    n-pentyl acetate 399.19
    transcutol 2178.95
    n-heptanol 167.16
    ethylbenzene 295.9
    MIBK 627.25
    2-propoxyethanol 791.95
    tert-butanol 914.08
    MTBE 906.28
    2-butoxyethanol 367.36
    propionic acid 886.23
    o-xylene 333.38
    formic acid 406.0
    diethyl ether 1287.12
    m-xylene 379.85
    p-xylene 346.51
    chlorobenzene 1178.22
    dimethyl carbonate 600.75
    n-octane 12.44
    formamide 893.45
    cyclopentanone 2054.36
    2-pentanone 1456.53
    anisole 682.51
    cyclopentyl methyl ether 986.64
    gamma-butyrolactone 1999.37
    1-methoxy-2-propanol 1064.52
    pyridine 1789.74
    3-pentanone 1044.89
    furfural 1554.14
    n-dodecane 12.89
    diethylene glycol 636.62
    diisopropyl ether 245.66
    tert-amyl alcohol 826.15
    acetylacetone 1439.11
    n-hexadecane 15.38
    acetophenone 634.27
    methyl propionate 1357.71
    isopentyl acetate 708.55
    trichloroethylene 5001.13
    n-nonanol 152.15
    cyclohexanol 914.36
    benzyl alcohol 620.37
    2-ethylhexanol 267.15
    isooctanol 141.97
    dipropyl ether 256.13
    1,2-dichlorobenzene 914.75
    ethyl lactate 294.42
    propylene carbonate 1101.61
    n-methylformamide 1264.3
    2-pentanol 636.27
    n-pentane 51.61
    1-propoxy-2-propanol 501.71
    1-methoxy-2-propyl acetate 670.16
    2-(2-methoxypropoxy) propanol 364.67
    mesitylene 195.94
    ε-caprolactone 1441.71
    p-cymene 134.59
    epichlorohydrin 2817.81
    1,1,1-trichloroethane 1862.17
    2-aminoethanol 467.53
    morpholine-4-carbaldehyde 1337.01
    sulfolane 1954.37
    2,2,4-trimethylpentane 40.16
    2-methyltetrahydrofuran 1366.8
    n-hexyl acetate 539.62
    isooctane 27.95
    2-(2-butoxyethoxy)ethanol 544.88
    sec-butyl acetate 486.63
    tert-butyl acetate 757.49
    decalin 65.66
    glycerin 385.35
    diglyme 1090.79
    acrylic acid 788.02
    isopropyl myristate 179.16
    n-butyric acid 1381.52
    acetyl acetate 1015.19
    di(2-ethylhexyl) phthalate 171.55
    ethyl propionate 674.78
    nitromethane 2727.67
    1,2-diethoxyethane 758.23
    benzonitrile 803.06
    trioctyl phosphate 123.16
    1-bromopropane 1363.74
    gamma-valerolactone 1957.14
    n-decanol 109.6
    triethyl phosphate 210.04
    4-methyl-2-pentanol 261.31
    propionitrile 1067.36
    vinylene carbonate 1023.84
    1,1,2-trichlorotrifluoroethane 1437.4
    DMS 578.95
    cumene 168.54
    2-octanol 123.87
    2-hexanone 689.16
    octyl acetate 238.78
    limonene 212.6
    1,2-dimethoxyethane 1267.48
    ethyl orthosilicate 194.62
    tributyl phosphate 181.23
    diacetone alcohol 723.18
    N,N-dimethylaniline 350.36
    acrylonitrile 1369.49
    aniline 864.3
    1,3-propanediol 764.76
    bromobenzene 1287.03
    dibromomethane 2660.88
    1,1,2,2-tetrachloroethane 3642.73
    2-methyl-cyclohexyl acetate 338.07
    tetrabutyl urea 221.9
    diisobutyl methanol 146.82
    2-phenylethanol 493.74
    styrene 458.9
    dioctyl adipate 265.11
    dimethyl sulfate 783.59
    ethyl butyrate 496.75
    methyl lactate 449.11
    butyl lactate 301.08
    diethyl carbonate 353.34
    propanediol butyl ether 355.2
    triethyl orthoformate 277.79
    p-tert-butyltoluene 123.51
    methyl 4-tert-butylbenzoate 335.81
    morpholine 1967.2
    tert-butylamine 478.24
    n-dodecanol 83.93
    dimethoxymethane 1481.01
    ethylene carbonate 895.85
    cyrene 389.01
    2-ethoxyethyl acetate 613.7
    2-ethylhexyl acetate 517.11
    1,2,4-trichlorobenzene 1017.37
    4-methylpyridine 1755.03
    dibutyl ether 283.44
    2,6-dimethyl-4-heptanol 146.82
    DEF 1516.81
    dimethyl isosorbide 608.11
    tetrachloroethylene 1982.44
    eugenol 357.56
    triacetin 443.26
    span 80 295.77
    1,4-butanediol 281.48
    1,1-dichloroethane 2578.8
    2-methyl-1-pentanol 548.29
    methyl formate 988.78
    2-methyl-1-butanol 810.65
    n-decane 20.3
    butyronitrile 1163.7
    3,7-dimethyl-1-octanol 203.57
    1-chlorooctane 143.67
    1-chlorotetradecane 55.84
    n-nonane 18.61
    undecane 15.51
    tert-butylcyclohexane 52.48
    cyclooctane 32.93
    cyclopentanol 742.81
    tetrahydropyran 1635.75
    tert-amyl methyl ether 647.95
    2,5,8-trioxanonane 640.24
    1-hexene 279.02
    2-isopropoxyethanol 547.92
    2,2,2-trifluoroethanol 401.06
    methyl butyrate 916.3

    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

Botanical

Name CAS Botanical Proportion
Artemisia scoparia (India) 2 Artemisia scoparia Waldst. et Kit., fam. Asteraceae (Compositae) 2.9%