Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoate

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  • Identifiers

    CAS number
    7504-66-7

    Molecular formula
    C13H16O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.12%
    Sweet 69.78%
    Spicy 63.21%
    Woody 59.85%
    Floral 47.3%
    Clove 44.34%
    Warm 38.41%
    Vanilla 37.12%
    Balsamic 36.96%
    Dry 36.52%

     

    Flavor
    Sweet 68.23%
    Floral 58.33%
    Woody 52.67%
    Spicy 48.08%
    Fruity 47.14%
    Spice 47.11%
    Clove 43.13%
    Fresh 33.51%
    Creamy 33.2%
    Powdery 31.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.47 (neutral)

    Molecular weight
    220.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 123.17 ˚C est.

  • Synonyms

    • Eugenyl propionate
    • 7504-66-7
    • Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoate
    • EINECS 231-357-2
    • Phenol, 2-methoxy-4-(2-propenyl)-, propanoate
    • NSC 407878
    • Phenol, 4-allyl-2-methoxy-, propionate
    • DTXSID10884393
    • RefChem:172765
    • DTXCID501023834
    • Phenol, 4-allyl-2-methoxy-, propionate (8CI)
    • Eugenol propionate
    • (2-methoxy-4-prop-2-enylphenyl) propanoate
    • 4-Allyl-2-methoxyphenyl propionate
    • 2-methoxy-4-(prop-2-en-1-yl)phenyl propanoate
    • NSC-407878
    • SY2QPG4GGN
    • CHEMBL4171737
    • SCHEMBL16131104
    • GZKIAPLXSBWPRY-UHFFFAOYSA-N
    • NSC407878
    • STK085821
    • NS00047587
    • 7504-66-7

  • Applications

    Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoate (CAS 7504-66-7) is primarily used as an intermediate in organic synthesis, enabling the preparation of diversified substituted phenolics. In perfumery and cosmetics, it may serve as a fragrance ingredient or odorant component, contributing to scent profiles in regulated formulations. It can also be evaluated for use in household products as a fragrance additive or odorant component. Additionally, it may function as a chemical intermediate for downstream compounds used in polymers or coatings, depending on purity, regulatory constraints, and formulation design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 773.79
    methanol 1065.44
    isopropanol 465.6
    water 0.3
    ethyl acetate 1435.12
    n-propanol 563.64
    acetone 1654.49
    n-butanol 529.33
    acetonitrile 1123.8
    DMF 1880.25
    toluene 535.17
    isobutanol 383.49
    1,4-dioxane 1080.64
    methyl acetate 1143.84
    THF 1304.71
    2-butanone 1134.16
    n-pentanol 371.41
    sec-butanol 479.98
    n-hexane 30.3
    ethylene glycol 143.37
    NMP 1136.77
    cyclohexane 86.88
    DMSO 1717.78
    n-butyl acetate 723.59
    n-octanol 140.03
    chloroform 2286.89
    n-propyl acetate 645.38
    acetic acid 967.56
    dichloromethane 2886.98
    cyclohexanone 1195.12
    propylene glycol 165.37
    isopropyl acetate 592.98
    DMAc 1385.31
    2-ethoxyethanol 637.93
    isopentanol 445.75
    n-heptane 16.86
    ethyl formate 681.47
    1,2-dichloroethane 1992.25
    n-hexanol 321.8
    2-methoxyethanol 982.68
    isobutyl acetate 353.91
    tetrachloromethane 218.44
    n-pentyl acetate 300.71
    transcutol 1473.23
    n-heptanol 127.7
    ethylbenzene 256.88
    MIBK 446.42
    2-propoxyethanol 549.64
    tert-butanol 700.87
    MTBE 743.5
    2-butoxyethanol 278.4
    propionic acid 533.66
    o-xylene 277.45
    formic acid 256.26
    diethyl ether 908.78
    m-xylene 295.97
    p-xylene 307.64
    chlorobenzene 724.64
    dimethyl carbonate 444.21
    n-octane 12.05
    formamide 578.27
    cyclopentanone 1398.71
    2-pentanone 926.31
    anisole 562.93
    cyclopentyl methyl ether 644.5
    gamma-butyrolactone 1453.88
    1-methoxy-2-propanol 651.39
    pyridine 1204.32
    3-pentanone 713.98
    furfural 1155.83
    n-dodecane 14.26
    diethylene glycol 428.1
    diisopropyl ether 184.17
    tert-amyl alcohol 594.14
    acetylacetone 1035.44
    n-hexadecane 16.7
    acetophenone 516.44
    methyl propionate 925.85
    isopentyl acetate 555.17
    trichloroethylene 3214.89
    n-nonanol 124.06
    cyclohexanol 482.3
    benzyl alcohol 459.05
    2-ethylhexanol 193.58
    isooctanol 111.14
    dipropyl ether 205.48
    1,2-dichlorobenzene 583.88
    ethyl lactate 219.69
    propylene carbonate 785.09
    n-methylformamide 800.04
    2-pentanol 363.31
    n-pentane 29.78
    1-propoxy-2-propanol 345.49
    1-methoxy-2-propyl acetate 487.04
    2-(2-methoxypropoxy) propanol 286.56
    mesitylene 157.68
    ε-caprolactone 920.5
    p-cymene 117.26
    epichlorohydrin 1821.18
    1,1,1-trichloroethane 1259.66
    2-aminoethanol 257.32
    morpholine-4-carbaldehyde 955.47
    sulfolane 1326.39
    2,2,4-trimethylpentane 30.87
    2-methyltetrahydrofuran 988.67
    n-hexyl acetate 406.16
    isooctane 21.39
    2-(2-butoxyethoxy)ethanol 398.06
    sec-butyl acetate 400.97
    tert-butyl acetate 557.63
    decalin 51.22
    glycerin 243.43
    diglyme 821.18
    acrylic acid 497.35
    isopropyl myristate 144.47
    n-butyric acid 799.98
    acetyl acetate 759.73
    di(2-ethylhexyl) phthalate 140.72
    ethyl propionate 530.29
    nitromethane 1836.2
    1,2-diethoxyethane 559.62
    benzonitrile 571.03
    trioctyl phosphate 98.7
    1-bromopropane 852.7
    gamma-valerolactone 1300.89
    n-decanol 92.63
    triethyl phosphate 171.52
    4-methyl-2-pentanol 177.12
    propionitrile 710.72
    vinylene carbonate 736.61
    1,1,2-trichlorotrifluoroethane 944.34
    DMS 444.21
    cumene 143.15
    2-octanol 100.18
    2-hexanone 509.16
    octyl acetate 187.45
    limonene 171.04
    1,2-dimethoxyethane 1000.19
    ethyl orthosilicate 160.12
    tributyl phosphate 140.3
    diacetone alcohol 510.22
    N,N-dimethylaniline 294.98
    acrylonitrile 914.97
    aniline 548.24
    1,3-propanediol 432.66
    bromobenzene 830.68
    dibromomethane 1766.68
    1,1,2,2-tetrachloroethane 2267.24
    2-methyl-cyclohexyl acetate 270.77
    tetrabutyl urea 171.16
    diisobutyl methanol 114.85
    2-phenylethanol 366.22
    styrene 372.03
    dioctyl adipate 213.87
    dimethyl sulfate 583.41
    ethyl butyrate 410.05
    methyl lactate 287.4
    butyl lactate 212.61
    diethyl carbonate 299.95
    propanediol butyl ether 249.34
    triethyl orthoformate 226.79
    p-tert-butyltoluene 110.52
    methyl 4-tert-butylbenzoate 277.44
    morpholine 1249.24
    tert-butylamine 356.32
    n-dodecanol 72.97
    dimethoxymethane 1082.7
    ethylene carbonate 650.25
    cyrene 308.23
    2-ethoxyethyl acetate 451.56
    2-ethylhexyl acetate 409.11
    1,2,4-trichlorobenzene 676.25
    4-methylpyridine 1213.1
    dibutyl ether 221.86
    2,6-dimethyl-4-heptanol 114.85
    DEF 991.22
    dimethyl isosorbide 468.59
    tetrachloroethylene 1323.57
    eugenol 284.7
    triacetin 358.83
    span 80 217.51
    1,4-butanediol 186.49
    1,1-dichloroethane 1643.96
    2-methyl-1-pentanol 362.51
    methyl formate 735.33
    2-methyl-1-butanol 441.0
    n-decane 20.78
    butyronitrile 706.68
    3,7-dimethyl-1-octanol 150.59
    1-chlorooctane 119.55
    1-chlorotetradecane 51.11
    n-nonane 18.71
    undecane 16.7
    tert-butylcyclohexane 44.1
    cyclooctane 22.33
    cyclopentanol 428.06
    tetrahydropyran 1053.55
    tert-amyl methyl ether 517.83
    2,5,8-trioxanonane 504.37
    1-hexene 180.16
    2-isopropoxyethanol 419.86
    2,2,2-trifluoroethanol 280.68
    methyl butyrate 726.92

    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