2-Methoxy-4-prop-1-enylphenyl phenylacetate

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  • Identifiers

    CAS number
    120-24-1

    Molecular formula
    C18H18O3

    SMILES
    CC=CC1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)OC

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 79.0%
    Spicy 74.18%
    Floral 72.47%
    Balsamic 68.92%
    Honey 57.82%
    Powdery 49.65%
    Cinnamon 47.93%
    Clove 46.77%
    Vanilla 40.53%
    Woody 38.53%

     

    Flavor
    Sweet 71.04%
    Floral 60.66%
    Balsam 50.76%
    Honey 40.55%
    Clove 35.55%
    Woody 35.39%
    Spice 34.7%
    Spicy 34.17%
    Chocolate 31.45%
    Cinnamon 30.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.57 (neutral)

    Molecular weight
    282.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 174.43 ˚C est.

    Solubility expt.

    • Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • DTXSID8059508
    • 120-24-1
    • BENZENEACETIC ACID, 2-METHOXY-4-(1-PROPENYL)PHENYL ESTER
    • 2-Methoxy-4-prop-1-enylphenyl phenylacetate
    • isoeugenyl phenyl acetate
    • DTXCID6033532
    • YYLCMLYMJHKLEJ-UHFFFAOYSA-N
    • DB-041545
    • NS00012702

  • Applications

    2-Methoxy-4-prop-1-enylphenyl phenylacetate (CAS 120-24-1) is used primarily as a fragrance ingredient and fixative in perfumery, contributing distinctive green/anis notes; it is also evaluated for cosmetic and personal care formulations as a scent component; in household products it serves as an odorant additive in air fresheners and cleaners; in industrial manufacturing it functions as an intermediate for the synthesis of other aroma chemicals and fragrance formulations; and in coatings, inks and plastics formulations it may be employed as a fragrance additive to impart characteristic note profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 143.91
    methanol 181.52
    isopropanol 71.49
    water 0.08
    ethyl acetate 389.1
    n-propanol 118.5
    acetone 536.87
    n-butanol 95.02
    acetonitrile 363.02
    DMF 648.3
    toluene 207.77
    isobutanol 72.61
    1,4-dioxane 392.29
    methyl acetate 367.36
    THF 787.78
    2-butanone 384.59
    n-pentanol 73.85
    sec-butanol 80.92
    n-hexane 6.54
    ethylene glycol 36.82
    NMP 458.08
    cyclohexane 20.13
    DMSO 1005.6
    n-butyl acetate 145.6
    n-octanol 23.45
    chloroform 1480.68
    n-propyl acetate 148.21
    acetic acid 214.58
    dichloromethane 1901.42
    cyclohexanone 440.98
    propylene glycol 59.9
    isopropyl acetate 154.96
    DMAc 696.91
    2-ethoxyethanol 174.26
    isopentanol 77.61
    n-heptane 5.29
    ethyl formate 145.48
    1,2-dichloroethane 1418.69
    n-hexanol 64.11
    2-methoxyethanol 307.39
    isobutyl acetate 91.18
    tetrachloromethane 65.24
    n-pentyl acetate 65.27
    transcutol 534.69
    n-heptanol 28.82
    ethylbenzene 71.55
    MIBK 135.43
    2-propoxyethanol 159.65
    tert-butanol 113.89
    MTBE 132.28
    2-butoxyethanol 81.69
    propionic acid 141.85
    o-xylene 79.25
    formic acid 64.7
    diethyl ether 235.59
    m-xylene 84.97
    p-xylene 83.43
    chlorobenzene 329.03
    dimethyl carbonate 223.34
    n-octane 2.89
    formamide 194.41
    cyclopentanone 672.73
    2-pentanone 273.16
    anisole 193.75
    cyclopentyl methyl ether 250.84
    gamma-butyrolactone 640.47
    1-methoxy-2-propanol 202.61
    pyridine 497.07
    3-pentanone 265.0
    furfural 432.58
    n-dodecane 3.39
    diethylene glycol 143.21
    diisopropyl ether 42.14
    tert-amyl alcohol 95.23
    acetylacetone 376.16
    n-hexadecane 4.0
    acetophenone 177.76
    methyl propionate 348.55
    isopentyl acetate 124.12
    trichloroethylene 1800.94
    n-nonanol 25.05
    cyclohexanol 108.82
    benzyl alcohol 132.33
    2-ethylhexanol 44.25
    isooctanol 26.97
    dipropyl ether 69.04
    1,2-dichlorobenzene 262.09
    ethyl lactate 71.8
    propylene carbonate 274.41
    n-methylformamide 237.96
    2-pentanol 58.14
    n-pentane 5.25
    1-propoxy-2-propanol 97.24
    1-methoxy-2-propyl acetate 167.84
    2-(2-methoxypropoxy) propanol 105.45
    mesitylene 42.64
    ε-caprolactone 286.22
    p-cymene 34.55
    epichlorohydrin 1076.21
    1,1,1-trichloroethane 535.89
    2-aminoethanol 76.94
    morpholine-4-carbaldehyde 352.15
    sulfolane 684.94
    2,2,4-trimethylpentane 6.48
    2-methyltetrahydrofuran 344.94
    n-hexyl acetate 84.31
    isooctane 4.36
    2-(2-butoxyethoxy)ethanol 132.6
    sec-butyl acetate 100.84
    tert-butyl acetate 151.9
    decalin 13.04
    glycerin 87.47
    diglyme 320.22
    acrylic acid 141.47
    isopropyl myristate 41.23
    n-butyric acid 170.97
    acetyl acetate 228.95
    di(2-ethylhexyl) phthalate 47.94
    ethyl propionate 152.19
    nitromethane 642.12
    1,2-diethoxyethane 167.03
    benzonitrile 169.07
    trioctyl phosphate 29.61
    1-bromopropane 416.64
    gamma-valerolactone 509.28
    n-decanol 20.34
    triethyl phosphate 68.9
    4-methyl-2-pentanol 36.91
    propionitrile 204.97
    vinylene carbonate 243.86
    1,1,2-trichlorotrifluoroethane 407.44
    DMS 160.71
    cumene 40.21
    2-octanol 18.25
    2-hexanone 146.2
    octyl acetate 49.28
    limonene 47.46
    1,2-dimethoxyethane 303.71
    ethyl orthosilicate 61.3
    tributyl phosphate 41.78
    diacetone alcohol 158.13
    N,N-dimethylaniline 97.91
    acrylonitrile 299.17
    aniline 205.51
    1,3-propanediol 105.7
    bromobenzene 373.27
    dibromomethane 1062.85
    1,1,2,2-tetrachloroethane 1281.31
    2-methyl-cyclohexyl acetate 90.48
    tetrabutyl urea 57.57
    diisobutyl methanol 30.61
    2-phenylethanol 105.02
    styrene 113.16
    dioctyl adipate 76.33
    dimethyl sulfate 329.6
    ethyl butyrate 114.36
    methyl lactate 125.71
    butyl lactate 58.46
    diethyl carbonate 98.41
    propanediol butyl ether 60.11
    triethyl orthoformate 81.79
    p-tert-butyltoluene 33.12
    methyl 4-tert-butylbenzoate 106.35
    morpholine 452.79
    tert-butylamine 56.66
    n-dodecanol 17.44
    dimethoxymethane 460.95
    ethylene carbonate 203.29
    cyrene 120.1
    2-ethoxyethyl acetate 128.64
    2-ethylhexyl acetate 95.7
    1,2,4-trichlorobenzene 313.79
    4-methylpyridine 377.76
    dibutyl ether 54.16
    2,6-dimethyl-4-heptanol 30.61
    DEF 297.09
    dimethyl isosorbide 210.95
    tetrachloroethylene 607.47
    eugenol 100.08
    triacetin 127.62
    span 80 70.76
    1,4-butanediol 42.62
    1,1-dichloroethane 824.43
    2-methyl-1-pentanol 75.84
    methyl formate 225.68
    2-methyl-1-butanol 78.65
    n-decane 4.82
    butyronitrile 162.24
    3,7-dimethyl-1-octanol 33.22
    1-chlorooctane 27.86
    1-chlorotetradecane 13.3
    n-nonane 4.14
    undecane 3.91
    tert-butylcyclohexane 10.54
    cyclooctane 5.05
    cyclopentanol 119.51
    tetrahydropyran 376.59
    tert-amyl methyl ether 101.09
    2,5,8-trioxanonane 220.37
    1-hexene 40.58
    2-isopropoxyethanol 113.18
    2,2,2-trifluoroethanol 87.57
    methyl butyrate 185.58

    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