4-Allyl-2-methoxyphenyl heptanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93917-74-9

    Molecular formula
    C17H24O3

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 54.03%
    Floral 53.76%
    Sweet 50.77%
    Fruity 49.73%
    Herbal 43.21%
    Woody 41.6%
    Balsamic 41.12%
    Clove 34.65%
    Warm 34.44%
    Waxy 34.06%

     

    Flavor
    Woody 47.07%
    Herbal 44.79%
    Spicy 39.43%
    Floral 37.4%
    Oily 34.82%
    Fruity 34.54%
    Sweet 34.42%
    Warm 33.53%
    Spice 30.07%
    Waxy 30.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.42 (neutral)

    Molecular weight
    276.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 150.12 ˚C est.

  • Synonyms

    • 4-Allyl-2-methoxyphenyl heptanoate
    • 93917-74-9
    • (2-methoxy-4-prop-2-enylphenyl) heptanoate
    • EINECS 299-853-1
    • eugenyl heptanoate
    • 2-METHOXY-4-(PROP-2-EN-1-YL)PHENYL HEPTANOATE
    • CHEMBL4165317
    • DTXSID10239884
    • SSZHJUHMUSGBLF-UHFFFAOYSA-N
    • NS00039755
    • 93917-74-9

  • Applications

    Chemical name: 4-Allyl-2-methoxyphenyl heptanoate; CAS number: 93917-74-9 is an aromatic ester that is often used as a fragrance ingredient across perfumery and cosmetics, where it may act as a fragrance component and as a potential fixative to extend aroma; it is also evaluated for use in household products such as air fresheners and scented cleaners; in coatings and inks it can be employed as a fragrance additive; in the polymers/plastics sector it may be explored as a plasticizer or as an intermediate in the synthesis of fragrance-related polymers; and in industrial manufacturing it can serve as a starting material for the synthesis of related aroma compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2989.46
    methanol 3865.86
    isopropanol 1373.5
    water 0.22
    ethyl acetate 5648.31
    n-propanol 2387.17
    acetone 5989.44
    n-butanol 1916.75
    acetonitrile 4025.36
    DMF 6017.39
    toluene 1873.58
    isobutanol 1505.17
    1,4-dioxane 2616.3
    methyl acetate 3921.52
    THF 3732.69
    2-butanone 4564.95
    n-pentanol 978.94
    sec-butanol 1600.62
    n-hexane 78.4
    ethylene glycol 331.71
    NMP 4392.59
    cyclohexane 263.93
    DMSO 7148.71
    n-butyl acetate 1770.04
    n-octanol 231.71
    chloroform 7552.79
    n-propyl acetate 1824.82
    acetic acid 2431.39
    dichloromethane 10404.95
    cyclohexanone 5114.76
    propylene glycol 514.63
    isopropyl acetate 2441.27
    DMAc 4320.35
    2-ethoxyethanol 1698.97
    isopentanol 1376.82
    n-heptane 26.6
    ethyl formate 1799.61
    1,2-dichloroethane 9021.81
    n-hexanol 741.3
    2-methoxyethanol 3393.57
    isobutyl acetate 851.69
    tetrachloromethane 672.74
    n-pentyl acetate 855.23
    transcutol 4705.82
    n-heptanol 249.0
    ethylbenzene 575.95
    MIBK 1458.64
    2-propoxyethanol 1463.97
    tert-butanol 1494.81
    MTBE 2095.48
    2-butoxyethanol 668.88
    propionic acid 1856.61
    o-xylene 761.54
    formic acid 680.52
    diethyl ether 3278.8
    m-xylene 832.61
    p-xylene 649.06
    chlorobenzene 2752.29
    dimethyl carbonate 1386.04
    n-octane 14.84
    formamide 1813.67
    cyclopentanone 5188.79
    2-pentanone 3721.8
    anisole 1334.67
    cyclopentyl methyl ether 2442.69
    gamma-butyrolactone 4806.76
    1-methoxy-2-propanol 2085.27
    pyridine 4425.4
    3-pentanone 2838.34
    furfural 3282.72
    n-dodecane 13.52
    diethylene glycol 1062.01
    diisopropyl ether 578.68
    tert-amyl alcohol 1515.85
    acetylacetone 3674.78
    n-hexadecane 16.62
    acetophenone 1278.27
    methyl propionate 3866.92
    isopentyl acetate 1394.57
    trichloroethylene 12694.09
    n-nonanol 211.04
    cyclohexanol 1779.86
    benzyl alcohol 1120.44
    2-ethylhexanol 403.3
    isooctanol 226.56
    dipropyl ether 504.41
    1,2-dichlorobenzene 2088.11
    ethyl lactate 549.63
    propylene carbonate 2299.49
    n-methylformamide 3101.08
    2-pentanol 1187.69
    n-pentane 86.9
    1-propoxy-2-propanol 896.31
    1-methoxy-2-propyl acetate 1431.58
    2-(2-methoxypropoxy) propanol 611.77
    mesitylene 399.51
    ε-caprolactone 3551.16
    p-cymene 216.18
    epichlorohydrin 7381.79
    1,1,1-trichloroethane 4556.16
    2-aminoethanol 900.24
    morpholine-4-carbaldehyde 2732.42
    sulfolane 4936.18
    2,2,4-trimethylpentane 67.08
    2-methyltetrahydrofuran 3256.13
    n-hexyl acetate 1013.32
    isooctane 44.04
    2-(2-butoxyethoxy)ethanol 958.26
    sec-butyl acetate 1115.26
    tert-butyl acetate 1866.46
    decalin 108.93
    glycerin 621.1
    diglyme 2097.45
    acrylic acid 1495.21
    isopropyl myristate 284.05
    n-butyric acid 2974.47
    acetyl acetate 2367.15
    di(2-ethylhexyl) phthalate 277.67
    ethyl propionate 1641.71
    nitromethane 6173.63
    1,2-diethoxyethane 1635.96
    benzonitrile 1567.87
    trioctyl phosphate 187.46
    1-bromopropane 3644.58
    gamma-valerolactone 4681.7
    n-decanol 145.18
    triethyl phosphate 370.69
    4-methyl-2-pentanol 487.04
    propionitrile 2406.45
    vinylene carbonate 1970.49
    1,1,2-trichlorotrifluoroethane 3131.07
    DMS 1203.6
    cumene 291.01
    2-octanol 180.61
    2-hexanone 1491.72
    octyl acetate 372.54
    limonene 378.94
    1,2-dimethoxyethane 2304.34
    ethyl orthosilicate 344.16
    tributyl phosphate 294.52
    diacetone alcohol 1545.49
    N,N-dimethylaniline 626.67
    acrylonitrile 3231.03
    aniline 2030.02
    1,3-propanediol 1303.8
    bromobenzene 3107.01
    dibromomethane 6492.37
    1,1,2,2-tetrachloroethane 9165.27
    2-methyl-cyclohexyl acetate 611.91
    tetrabutyl urea 371.73
    diisobutyl methanol 222.03
    2-phenylethanol 831.41
    styrene 938.25
    dioctyl adipate 441.97
    dimethyl sulfate 1926.02
    ethyl butyrate 977.83
    methyl lactate 1003.47
    butyl lactate 582.94
    diethyl carbonate 619.4
    propanediol butyl ether 624.49
    triethyl orthoformate 507.12
    p-tert-butyltoluene 199.65
    methyl 4-tert-butylbenzoate 616.13
    morpholine 4047.55
    tert-butylamine 806.84
    n-dodecanol 109.17
    dimethoxymethane 3502.86
    ethylene carbonate 1793.49
    cyrene 651.66
    2-ethoxyethyl acetate 1419.71
    2-ethylhexyl acetate 1017.0
    1,2,4-trichlorobenzene 2287.17
    4-methylpyridine 4152.82
    dibutyl ether 485.27
    2,6-dimethyl-4-heptanol 222.03
    DEF 4001.44
    dimethyl isosorbide 1102.73
    tetrachloroethylene 4789.58
    eugenol 617.67
    triacetin 861.16
    span 80 476.54
    1,4-butanediol 475.53
    1,1-dichloroethane 6473.38
    2-methyl-1-pentanol 941.12
    methyl formate 2119.54
    2-methyl-1-butanol 1630.98
    n-decane 23.25
    butyronitrile 2382.57
    3,7-dimethyl-1-octanol 304.43
    1-chlorooctane 221.97
    1-chlorotetradecane 73.24
    n-nonane 21.01
    undecane 16.69
    tert-butylcyclohexane 79.06
    cyclooctane 55.7
    cyclopentanol 1575.54
    tetrahydropyran 3660.42
    tert-amyl methyl ether 1447.62
    2,5,8-trioxanonane 1121.87
    1-hexene 537.64
    2-isopropoxyethanol 1045.64
    2,2,2-trifluoroethanol 738.93
    methyl butyrate 2195.22

    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