2-Methoxy-4-prop-1-enylphenyl acetate

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  • Identifiers

    CAS number
    93-29-8

    Molecular formula
    C12H14O3

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1610.0

  • Odor profile

    Fragrance
    Sweet 88.36%
    Floral 79.02%
    Spicy 77.89%
    Fruity 67.04%
    Woody 66.57%
    Balsamic 59.78%
    Clove 57.42%
    Powdery 52.39%
    Vanilla 47.19%
    Warm 41.23%

     

    Flavor
    Sweet 84.24%
    Floral 68.36%
    Woody 66.02%
    Clove 55.09%
    Spicy 54.13%
    Spice 49.75%
    Powdery 41.28%
    Flower 38.52%
    Vanilla 37.91%
    Balsam 37.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.65 (neutral)

    Molecular weight
    206.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 125.24 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in oil
    • soluble (in ethanol)

  • Synonyms

    • Acetylisoeugenol
    • Isoeugenyl acetate
    • Isoeugenol acetate
    • 93-29-8
    • Acetyl isoeugenol
    • Acetisoeugenol
    • 5912-87-8
    • Isoeugenol, acetate
    • (E)-isoeugenyl acetate
    • trans-Isoeugenol acetate
    • 2-Methoxy-4-propenylphenyl acetate
    • Isoeugenyl acetate, (E)-
    • 4-Acetoxy-3-methoxy-1-propenylbenzene
    • Phenol, 2-methoxy-4-(1-propenyl)-, acetate
    • Phenol, 2-methoxy-4-(1E)-1-propenyl-, acetate
    • 2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
    • 1-Acetoxy-2-methoxy-4-(1-propenyl)benzene
    • 2-Methoxy-4-(1-propenyl)phenyl acetate
    • PHENOL, 2-METHOXY-4-PROPENYL-, ACETATE
    • NSC 46121
    • FEMA No. 2470
    • 2-Methoxy-4-prop-1-enylphenyl acetate
    • EINECS 202-236-1
    • 4-Acetoxy-3-methoxy-1-(1-propen-1-yl)benzene
    • 7XK69TOK59
    • CHEBI:86583
    • Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate
    • AI3-24267
    • Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (E)-
    • Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate
    • Phenol, 2-methoxy-4-propenyl-, acetate, (E)-
    • [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate
    • (E)-2-Methoxy-4-(prop-1-en-1-yl)phenyl acetate
    • 9DF21GI8W6
    • DTXSID601020590
    • NSC-46121
    • 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenyl acetate
    • ISOEUGENYL ACETATE (USP-RS)
    • ISOEUGENYL ACETATE [USP-RS]
    • Isoeugenylacetate
    • 2-methoxy-4-((1E)-prop-1-en-1-yl)phenyl acetate
    • DTXSID0052625
    • bestally
    • UNII-7XK69TOK59
    • UNII-9DF21GI8W6
    • Acetoisoeugenol
    • 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate
    • acetyl iso eugenol
    • kunshan asia aroma
    • O-Acetylisoeugenol
    • iso eugenyl acetate
    • isoeugenyl acetate 1
    • MFCD00026984
    • (E)-Isoeugenol Acetate
    • isoeugenyl acetate 908
    • 2-methoxy-4-((1Z)-prop-1-en-1-yl)phenyl acetate
    • 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate
    • bmse010051
    • MLS000563467
    • Isoeugenol acetate (Standard)
    • CHEMBL1609480
    • DTXCID4031198
    • ISOEUGENYL ACETATE [FCC]
    • HY-N6805R
    • WLN: 2U1R CO1 DOV1
    • DTXCID00210581
    • ISOEUGENYL ACETATE [FHFI]
    • ISOEUGENYL ACETATE [INCI]
    • HMS2225L23
    • HY-N6805
    • NSC46121
    • Acetyl iso-eugenol, Acetylisoeugenol
    • AKOS015837939
    • CS-W021012
    • Isoeugenyl acetate, analytical standard
    • Isoeugenyl acetate, >=98%, FCC, FG
    • NCGC00247539-01
    • BS-51311
    • SMR000105317
    • 1-(3-methoxy-4-acetoxyphenyl)-1-propene
    • 2-Methoxy-4-(propen-1-yl)-phenyl acetate
    • 2-methoxy-4-(prop-1-en-1-yl)phenylacetate
    • 4-Acetoxy-3-methoxy-1-propen-1-yl-benzene
    • A1184
    • NS00012700
    • 1-acetoxy-2-methoxy-4-trans-propenyl-benzene
    • A00615
    • 1-Acetoxy-2-methoxy-4-[(E)-1-propenyl]benzene
    • SR-01000221703
    • 2-(methyloxy)-4-[(1E)-prop-1-enyl]phenyl acetate
    • SR-01000221703-1
    • Q27159265
    • 202-236-1

  • Applications

    2-Methoxy-4-prop-1-enylphenyl acetate (CAS 93-29-8) is a eugenol-related derivative bearing an allyl and a methoxy group on the aromatic ring. In practice, it is used as a fragrance ingredient in perfumery and cosmetics, and can serve as a precursor to other aroma compounds as well as in the synthesis of vanillin in fragrance chemistry. It may be considered as a flavor/aroma ingredient for certain food formulations within regulatory limits and can appear in household products such as air fresheners and cleaners to impart fragrance. Owing to its allyl functionality, it can be viewed as an intermediate for chemical synthesis and for polymer-related materials applications, offering potential use in plastic or adhesive formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.28
    methanol 249.54
    isopropanol 129.38
    water 0.35
    ethyl acetate 264.76
    n-propanol 133.79
    acetone 459.49
    n-butanol 134.32
    acetonitrile 266.9
    DMF 725.31
    toluene 129.95
    isobutanol 104.66
    1,4-dioxane 429.98
    methyl acetate 291.57
    THF 601.18
    2-butanone 283.79
    n-pentanol 101.36
    sec-butanol 118.03
    n-hexane 19.44
    ethylene glycol 96.77
    NMP 552.6
    cyclohexane 32.33
    DMSO 795.11
    n-butyl acetate 183.09
    n-octanol 60.33
    chloroform 779.89
    n-propyl acetate 156.38
    acetic acid 264.58
    dichloromethane 878.29
    cyclohexanone 363.12
    propylene glycol 90.46
    isopropyl acetate 135.98
    DMAc 627.93
    2-ethoxyethanol 224.49
    isopentanol 126.36
    n-heptane 11.28
    ethyl formate 170.15
    1,2-dichloroethane 580.8
    n-hexanol 116.62
    2-methoxyethanol 383.04
    isobutyl acetate 105.51
    tetrachloromethane 81.83
    n-pentyl acetate 97.79
    transcutol 483.76
    n-heptanol 53.12
    ethylbenzene 86.81
    MIBK 129.89
    2-propoxyethanol 222.96
    tert-butanol 243.04
    MTBE 216.17
    2-butoxyethanol 109.32
    propionic acid 161.24
    o-xylene 96.64
    formic acid 93.16
    diethyl ether 209.5
    m-xylene 101.68
    p-xylene 104.87
    chlorobenzene 206.06
    dimethyl carbonate 163.92
    n-octane 6.91
    formamide 176.37
    cyclopentanone 492.5
    2-pentanone 217.23
    anisole 199.65
    cyclopentyl methyl ether 248.63
    gamma-butyrolactone 536.01
    1-methoxy-2-propanol 235.79
    pyridine 307.43
    3-pentanone 195.8
    furfural 428.03
    n-dodecane 8.18
    diethylene glycol 226.9
    diisopropyl ether 58.17
    tert-amyl alcohol 177.31
    acetylacetone 290.73
    n-hexadecane 9.5
    acetophenone 182.11
    methyl propionate 246.56
    isopentyl acetate 157.46
    trichloroethylene 925.72
    n-nonanol 54.37
    cyclohexanol 154.79
    benzyl alcohol 154.62
    2-ethylhexanol 78.83
    isooctanol 46.1
    dipropyl ether 88.54
    1,2-dichlorobenzene 197.52
    ethyl lactate 98.11
    propylene carbonate 281.97
    n-methylformamide 249.87
    2-pentanol 89.13
    n-pentane 13.74
    1-propoxy-2-propanol 141.28
    1-methoxy-2-propyl acetate 172.49
    2-(2-methoxypropoxy) propanol 149.5
    mesitylene 62.76
    ε-caprolactone 284.05
    p-cymene 54.58
    epichlorohydrin 614.64
    1,1,1-trichloroethane 409.41
    2-aminoethanol 117.59
    morpholine-4-carbaldehyde 449.47
    sulfolane 652.79
    2,2,4-trimethylpentane 14.49
    2-methyltetrahydrofuran 369.03
    n-hexyl acetate 148.24
    isooctane 9.83
    2-(2-butoxyethoxy)ethanol 169.09
    sec-butyl acetate 109.88
    tert-butyl acetate 167.12
    decalin 26.96
    glycerin 153.97
    diglyme 336.88
    acrylic acid 168.27
    isopropyl myristate 65.76
    n-butyric acid 191.2
    acetyl acetate 192.16
    di(2-ethylhexyl) phthalate 71.51
    ethyl propionate 150.15
    nitromethane 485.02
    1,2-diethoxyethane 177.02
    benzonitrile 175.29
    trioctyl phosphate 50.64
    1-bromopropane 249.96
    gamma-valerolactone 454.43
    n-decanol 44.26
    triethyl phosphate 87.66
    4-methyl-2-pentanol 58.19
    propionitrile 171.55
    vinylene carbonate 260.63
    1,1,2-trichlorotrifluoroethane 363.75
    DMS 182.29
    cumene 62.15
    2-octanol 40.0
    2-hexanone 150.35
    octyl acetate 83.47
    limonene 77.66
    1,2-dimethoxyethane 383.88
    ethyl orthosilicate 81.05
    tributyl phosphate 66.84
    diacetone alcohol 182.77
    N,N-dimethylaniline 136.29
    acrylonitrile 228.41
    aniline 169.49
    1,3-propanediol 158.02
    bromobenzene 238.29
    dibromomethane 540.85
    1,1,2,2-tetrachloroethane 704.29
    2-methyl-cyclohexyl acetate 122.84
    tetrabutyl urea 88.14
    diisobutyl methanol 49.36
    2-phenylethanol 141.9
    styrene 112.52
    dioctyl adipate 102.18
    dimethyl sulfate 289.63
    ethyl butyrate 133.73
    methyl lactate 130.96
    butyl lactate 83.45
    diethyl carbonate 115.11
    propanediol butyl ether 107.68
    triethyl orthoformate 95.52
    p-tert-butyltoluene 54.95
    methyl 4-tert-butylbenzoate 137.1
    morpholine 452.04
    tert-butylamine 128.05
    n-dodecanol 37.4
    dimethoxymethane 399.97
    ethylene carbonate 212.75
    cyrene 170.46
    2-ethoxyethyl acetate 148.52
    2-ethylhexyl acetate 130.0
    1,2,4-trichlorobenzene 233.44
    4-methylpyridine 311.13
    dibutyl ether 87.59
    2,6-dimethyl-4-heptanol 49.36
    DEF 272.68
    dimethyl isosorbide 241.91
    tetrachloroethylene 391.68
    eugenol 139.7
    triacetin 158.21
    span 80 105.99
    1,4-butanediol 75.52
    1,1-dichloroethane 445.88
    2-methyl-1-pentanol 110.92
    methyl formate 246.87
    2-methyl-1-butanol 121.4
    n-decane 11.55
    butyronitrile 173.9
    3,7-dimethyl-1-octanol 64.03
    1-chlorooctane 55.3
    1-chlorotetradecane 26.82
    n-nonane 11.03
    undecane 9.55
    tert-butylcyclohexane 24.16
    cyclooctane 10.18
    cyclopentanol 160.69
    tetrahydropyran 339.02
    tert-amyl methyl ether 159.46
    2,5,8-trioxanonane 246.02
    1-hexene 68.04
    2-isopropoxyethanol 155.5
    2,2,2-trifluoroethanol 111.41
    methyl butyrate 193.93

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.18 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.061 %
Category 2
Products applied to the axillae
 0.053 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.061 %
Category 3
Products applied to the face/body using fingertips
 0.061 % Category 8
Products with significant anogenital exposure
 0.02 %
Category 4
Products related to fine fragrance
 0.99 % Category 9
Products with body and hand exposure, primarily rinse off
 0.2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.25 % Category 10A
Household care products with mostly hand contact
 0.061 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.061 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.45 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.082 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.02 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.02 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.02 %
Category 6
Products with oral and lip exposure
 0.02 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 16 %

Botanical

Name CAS Botanical Proportion
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.12%
Yarrow (Cuba) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 1.1%
Artemisia verlotiorum (France) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.05%