Isoeugenyl formate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7774-96-1

    Molecular formula
    C11H12O3

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 86.14%
    Spicy 69.75%
    Woody 68.39%
    Floral 66.74%
    Green 60.26%
    Clove 54.18%
    Fresh 47.29%
    Balsamic 45.63%
    Powdery 43.63%
    Warm 42.53%

     

    Flavor
    Sweet 65.49%
    Spicy 57.11%
    Floral 53.6%
    Spice 47.3%
    Woody 47.0%
    Clove 45.45%
    Cinnamon 41.43%
    Vanilla 39.66%
    Balsam 38.57%
    Bitter 35.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.32 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 282.00 °C. @ 760.00 mm Hg

    Flash point

    • 123.57 ˚C est.

    Solubility expt.

    • slightly
    • Almost insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • Isoeugenyl formate
    • Isoeugenol formate
    • BZ8VJQ00VH
    • 2-Methoxy-4-propenylphenyl formate
    • Phenol, 2-methoxy-4-propenyl, formate
    • FEMA No. 2474
    • 2-Methoxy-4-(1-propenyl)phenyl formate
    • 2-Methoxy-4-(1-propen-1-yl)phenyl formate
    • 4-(1-Propen-1-yl)-2-methoxyphenyl formate
    • Phenol, 2-methoxy-4-(1-propenyl)-, formate
    • EINECS 231-884-8
    • UNII-BZ8VJQ00VH
    • 7774-96-1
    • DTXSID70864116
    • (Z)-isoeugenyl formate
    • 6CO8XDD4UZ
    • FEMA 2474
    • DTXCID00812665
    • CHEBI:173925
    • ISOEUGENYL FORMATE, (Z)-
    • FEMA NO. 2474, (Z)-
    • Phenol, 2-methoxy-4-propenyl-, formate
    • [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] ormate
    • 2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl formate
    • Q27264490
    • PHENOL, 2-METHOXY-4-(1-PROPEN-1-YL)-, 1-FORMATE

  • Applications

    Isoeugenyl formate, CAS number: 7774-96-1, is an ester of isoeugenol used as a fragrance ingredient. Real-world applications include: in perfumery/fragrance as an aroma chemical and a potential fixative to extend scent expression; in cosmetics/personal care as a fragrance component; in household products such as air fresheners and cleaners to impart fragrance; in industrial manufacturing as an intermediate in fragrance synthesis for large-scale production; and in coatings/inks formulations where it can be added as a fragrance additive. Applications may be considered depending on formulation requirements and regulatory constraints; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.35
    methanol 193.35
    isopropanol 78.64
    water 0.28
    ethyl acetate 413.95
    n-propanol 113.09
    acetone 680.46
    n-butanol 86.79
    acetonitrile 411.98
    DMF 813.13
    toluene 118.73
    isobutanol 68.74
    1,4-dioxane 426.28
    methyl acetate 419.06
    THF 637.96
    2-butanone 386.36
    n-pentanol 70.24
    sec-butanol 72.39
    n-hexane 8.41
    ethylene glycol 91.71
    NMP 587.35
    cyclohexane 20.65
    DMSO 1161.23
    n-butyl acetate 203.09
    n-octanol 31.21
    chloroform 876.79
    n-propyl acetate 217.4
    acetic acid 313.24
    dichloromethane 1242.59
    cyclohexanone 449.46
    propylene glycol 60.4
    isopropyl acetate 171.41
    DMAc 455.63
    2-ethoxyethanol 237.56
    isopentanol 84.66
    n-heptane 7.23
    ethyl formate 211.47
    1,2-dichloroethane 1049.34
    n-hexanol 76.79
    2-methoxyethanol 413.0
    isobutyl acetate 115.51
    tetrachloromethane 94.39
    n-pentyl acetate 87.64
    transcutol 533.53
    n-heptanol 33.95
    ethylbenzene 69.26
    MIBK 151.56
    2-propoxyethanol 187.37
    tert-butanol 169.05
    MTBE 179.46
    2-butoxyethanol 94.48
    propionic acid 182.79
    o-xylene 79.89
    formic acid 131.59
    diethyl ether 233.31
    m-xylene 82.78
    p-xylene 79.21
    chlorobenzene 245.98
    dimethyl carbonate 234.61
    n-octane 3.56
    formamide 375.82
    cyclopentanone 705.24
    2-pentanone 297.0
    anisole 197.38
    cyclopentyl methyl ether 258.03
    gamma-butyrolactone 858.75
    1-methoxy-2-propanol 234.83
    pyridine 417.95
    3-pentanone 249.59
    furfural 591.09
    n-dodecane 3.92
    diethylene glycol 200.98
    diisopropyl ether 55.96
    tert-amyl alcohol 127.03
    acetylacetone 411.17
    n-hexadecane 4.65
    acetophenone 190.37
    methyl propionate 371.0
    isopentyl acetate 155.91
    trichloroethylene 1536.01
    n-nonanol 30.2
    cyclohexanol 106.28
    benzyl alcohol 140.51
    2-ethylhexanol 51.99
    isooctanol 30.15
    dipropyl ether 72.32
    1,2-dichlorobenzene 227.35
    ethyl lactate 96.13
    propylene carbonate 342.53
    n-methylformamide 416.68
    2-pentanol 62.11
    n-pentane 7.8
    1-propoxy-2-propanol 113.09
    1-methoxy-2-propyl acetate 188.92
    2-(2-methoxypropoxy) propanol 114.58
    mesitylene 56.25
    ε-caprolactone 339.32
    p-cymene 43.86
    epichlorohydrin 1046.28
    1,1,1-trichloroethane 541.2
    2-aminoethanol 110.82
    morpholine-4-carbaldehyde 466.1
    sulfolane 948.82
    2,2,4-trimethylpentane 8.66
    2-methyltetrahydrofuran 365.75
    n-hexyl acetate 113.52
    isooctane 6.85
    2-(2-butoxyethoxy)ethanol 141.39
    sec-butyl acetate 125.69
    tert-butyl acetate 197.72
    decalin 16.37
    glycerin 124.07
    diglyme 339.15
    acrylic acid 217.0
    isopropyl myristate 49.01
    n-butyric acid 198.02
    acetyl acetate 246.38
    di(2-ethylhexyl) phthalate 50.95
    ethyl propionate 195.0
    nitromethane 899.42
    1,2-diethoxyethane 170.02
    benzonitrile 185.4
    trioctyl phosphate 35.44
    1-bromopropane 292.54
    gamma-valerolactone 625.87
    n-decanol 23.99
    triethyl phosphate 82.75
    4-methyl-2-pentanol 43.06
    propionitrile 229.48
    vinylene carbonate 318.16
    1,1,2-trichlorotrifluoroethane 507.87
    DMS 195.98
    cumene 47.73
    2-octanol 23.85
    2-hexanone 175.04
    octyl acetate 59.75
    limonene 59.71
    1,2-dimethoxyethane 381.73
    ethyl orthosilicate 70.82
    tributyl phosphate 50.05
    diacetone alcohol 195.19
    N,N-dimethylaniline 107.57
    acrylonitrile 395.13
    aniline 180.92
    1,3-propanediol 140.15
    bromobenzene 269.18
    dibromomethane 687.3
    1,1,2,2-tetrachloroethane 940.79
    2-methyl-cyclohexyl acetate 110.35
    tetrabutyl urea 65.42
    diisobutyl methanol 37.04
    2-phenylethanol 118.48
    styrene 98.72
    dioctyl adipate 80.42
    dimethyl sulfate 395.62
    ethyl butyrate 138.09
    methyl lactate 148.45
    butyl lactate 69.5
    diethyl carbonate 117.56
    propanediol butyl ether 76.47
    triethyl orthoformate 91.16
    p-tert-butyltoluene 43.12
    methyl 4-tert-butylbenzoate 118.6
    morpholine 466.58
    tert-butylamine 77.64
    n-dodecanol 19.59
    dimethoxymethane 490.62
    ethylene carbonate 253.07
    cyrene 148.21
    2-ethoxyethyl acetate 156.67
    2-ethylhexyl acetate 124.4
    1,2,4-trichlorobenzene 274.33
    4-methylpyridine 319.15
    dibutyl ether 57.97
    2,6-dimethyl-4-heptanol 37.04
    DEF 326.73
    dimethyl isosorbide 228.05
    tetrachloroethylene 545.79
    eugenol 117.43
    triacetin 142.5
    span 80 77.57
    1,4-butanediol 55.83
    1,1-dichloroethane 630.24
    2-methyl-1-pentanol 74.85
    methyl formate 382.95
    2-methyl-1-butanol 77.15
    n-decane 5.54
    butyronitrile 168.61
    3,7-dimethyl-1-octanol 40.26
    1-chlorooctane 32.66
    1-chlorotetradecane 15.5
    n-nonane 4.95
    undecane 4.6
    tert-butylcyclohexane 13.65
    cyclooctane 7.51
    cyclopentanol 126.99
    tetrahydropyran 338.2
    tert-amyl methyl ether 129.31
    2,5,8-trioxanonane 209.3
    1-hexene 40.09
    2-isopropoxyethanol 147.22
    2,2,2-trifluoroethanol 155.08
    methyl butyrate 238.43

    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