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

Overview IFRA Botanical Request a quote

  • 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

    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%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    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 est.
    125.24 ˚C

    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

  • 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%