Eugenyl formate

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  • Identifiers

    CAS number
    10031-96-6

    Molecular formula
    C11H12O3

    SMILES
    COC1=C(C=CC(=C1)CC=C)OC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 75.67%
    Woody 69.02%
    Spicy 66.54%
    Clove 50.68%
    Green 46.11%
    Floral 43.05%
    Warm 42.69%
    Fresh 40.35%
    Balsamic 36.22%
    Herbal 35.9%

     

    Flavor
    Sweet 80.26%
    Spicy 62.26%
    Floral 59.12%
    Spice 58.43%
    Woody 58.35%
    Clove 56.54%
    Cinnamon 49.47%
    Vanilla 44.84%
    Creamy 40.41%
    Fresh 39.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.44 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 270 °C
    • 270.00 °C. @ 760.00 mm Hg

    Flash point

    • 118.23 ˚C est.

    Solubility expt.

    • SOL 1:2-3.5 IN 80% ALCOHOL
    • Insoluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • EUGENYL FORMATE
    • 4-Allyl-2-methoxyphenyl formate
    • Eugenol formate
    • 10031-96-6
    • 4-Allyl-2-methoxyphenol formate
    • FEMA No. 2473
    • FEMA Number 2473
    • Phenol, 4-allyl-2-methoxy-, formate
    • 4-(2-Propenyl)-2-methoxyphenyl formate
    • (2-methoxy-4-prop-2-enylphenyl) formate
    • EINECS 233-099-6
    • 4-(2-Propen-1-yl)-2-methoxyphenyl formate
    • Phenol, 2-methoxy-4-(2-propenyl)-, formate
    • HSDB 2503
    • 2-Methoxy-4-(2-propenyl)phenyl formate
    • UNII-USW3U3L49G
    • USW3U3L49G
    • BRN 3270015
    • Phenol, 4-allyl-2-methoxy-, formate (ester)
    • EUGENYL FORMATE [FHFI]
    • EUGENYL FORMATE [HSDB]
    • DTXSID50143133
    • 0-06-00-00965 (Beilstein Handbook Reference)
    • 2-methoxy-4-(prop-2-en-1-yl)phenyl formate
    • 4Allyl2methoxyphenol formate
    • 4Allyl2methoxyphenyl formate
    • SCHEMBL29813
    • FEMA NUMBER 2473.
    • DTXCID2065624
    • FEMA 2473
    • Phenol, 4allyl2methoxy, formate
    • CHEBI:173926
    • JUTKIGGQRLHTJN-UHFFFAOYSA-N
    • 2Methoxy4(2propenyl)phenyl formate
    • 4(2Propenyl)2methoxyphenyl formate
    • 4(2Propen1yl)2methoxyphenyl formate
    • Phenol, 2methoxy4(2propenyl), formate
    • (2-methoxy-4-prop-2-enylphenyl) ormate
    • NS00012477
    • Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-formate
    • Q27291255

  • Applications

    Eugenyl formate (CAS 10031-96-6) is an ester of eugenol primarily used in the fragrance industry as a fragrance ingredient and a fixative, contributing to a lasting aroma in perfumes and personal care products, and also appearing in some scented household formulations. It may be used as a flavor/aroma component in select food formulations and serves as an intermediate in the industrial synthesis of eugenol derivatives; it can also be considered for scented applications in coatings and inks where a fragrance note is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.08
    methanol 219.05
    isopropanol 79.44
    water 0.23
    ethyl acetate 357.97
    n-propanol 118.47
    acetone 536.62
    n-butanol 82.47
    acetonitrile 301.98
    DMF 627.83
    toluene 81.91
    isobutanol 66.73
    1,4-dioxane 320.83
    methyl acetate 372.28
    THF 509.58
    2-butanone 335.38
    n-pentanol 71.18
    sec-butanol 72.81
    n-hexane 4.62
    ethylene glycol 89.76
    NMP 440.63
    cyclohexane 12.24
    DMSO 1064.35
    n-butyl acetate 179.55
    n-octanol 29.92
    chloroform 582.54
    n-propyl acetate 197.64
    acetic acid 281.34
    dichloromethane 834.42
    cyclohexanone 367.48
    propylene glycol 63.87
    isopropyl acetate 139.61
    DMAc 387.54
    2-ethoxyethanol 218.69
    isopentanol 76.75
    n-heptane 4.93
    ethyl formate 191.95
    1,2-dichloroethane 720.73
    n-hexanol 74.5
    2-methoxyethanol 364.6
    isobutyl acetate 99.19
    tetrachloromethane 58.73
    n-pentyl acetate 72.44
    transcutol 526.1
    n-heptanol 31.39
    ethylbenzene 52.69
    MIBK 128.7
    2-propoxyethanol 172.93
    tert-butanol 147.38
    MTBE 134.7
    2-butoxyethanol 87.42
    propionic acid 165.79
    o-xylene 62.57
    formic acid 120.48
    diethyl ether 169.15
    m-xylene 64.07
    p-xylene 59.76
    chlorobenzene 180.95
    dimethyl carbonate 175.25
    n-octane 2.66
    formamide 303.86
    cyclopentanone 548.44
    2-pentanone 244.07
    anisole 148.19
    cyclopentyl methyl ether 204.9
    gamma-butyrolactone 674.94
    1-methoxy-2-propanol 209.76
    pyridine 306.83
    3-pentanone 197.4
    furfural 455.16
    n-dodecane 3.09
    diethylene glycol 187.77
    diisopropyl ether 39.48
    tert-amyl alcohol 113.19
    acetylacetone 319.51
    n-hexadecane 3.64
    acetophenone 156.43
    methyl propionate 296.0
    isopentyl acetate 134.76
    trichloroethylene 1059.18
    n-nonanol 28.43
    cyclohexanol 93.63
    benzyl alcohol 115.86
    2-ethylhexanol 48.01
    isooctanol 27.88
    dipropyl ether 57.11
    1,2-dichlorobenzene 165.79
    ethyl lactate 85.91
    propylene carbonate 275.19
    n-methylformamide 346.55
    2-pentanol 56.34
    n-pentane 4.64
    1-propoxy-2-propanol 104.32
    1-methoxy-2-propyl acetate 162.33
    2-(2-methoxypropoxy) propanol 105.84
    mesitylene 42.82
    ε-caprolactone 281.08
    p-cymene 35.32
    epichlorohydrin 804.85
    1,1,1-trichloroethane 363.41
    2-aminoethanol 108.68
    morpholine-4-carbaldehyde 353.9
    sulfolane 711.64
    2,2,4-trimethylpentane 6.13
    2-methyltetrahydrofuran 290.92
    n-hexyl acetate 97.13
    isooctane 4.93
    2-(2-butoxyethoxy)ethanol 133.6
    sec-butyl acetate 108.07
    tert-butyl acetate 156.84
    decalin 11.01
    glycerin 117.21
    diglyme 300.46
    acrylic acid 180.8
    isopropyl myristate 40.13
    n-butyric acid 174.24
    acetyl acetate 197.28
    di(2-ethylhexyl) phthalate 44.65
    ethyl propionate 160.9
    nitromethane 716.41
    1,2-diethoxyethane 143.29
    benzonitrile 146.52
    trioctyl phosphate 31.1
    1-bromopropane 203.78
    gamma-valerolactone 487.69
    n-decanol 22.51
    triethyl phosphate 66.44
    4-methyl-2-pentanol 39.59
    propionitrile 190.17
    vinylene carbonate 247.49
    1,1,2-trichlorotrifluoroethane 402.14
    DMS 151.96
    cumene 37.3
    2-octanol 21.63
    2-hexanone 153.16
    octyl acetate 49.35
    limonene 49.45
    1,2-dimethoxyethane 333.0
    ethyl orthosilicate 57.65
    tributyl phosphate 42.92
    diacetone alcohol 171.96
    N,N-dimethylaniline 86.52
    acrylonitrile 303.81
    aniline 138.53
    1,3-propanediol 133.28
    bromobenzene 182.22
    dibromomethane 472.99
    1,1,2,2-tetrachloroethane 671.23
    2-methyl-cyclohexyl acetate 92.88
    tetrabutyl urea 57.23
    diisobutyl methanol 32.73
    2-phenylethanol 101.5
    styrene 71.66
    dioctyl adipate 69.06
    dimethyl sulfate 294.69
    ethyl butyrate 116.74
    methyl lactate 124.57
    butyl lactate 62.5
    diethyl carbonate 94.59
    propanediol butyl ether 76.51
    triethyl orthoformate 74.45
    p-tert-butyltoluene 34.16
    methyl 4-tert-butylbenzoate 101.39
    morpholine 356.78
    tert-butylamine 63.89
    n-dodecanol 18.43
    dimethoxymethane 369.72
    ethylene carbonate 199.14
    cyrene 132.05
    2-ethoxyethyl acetate 131.64
    2-ethylhexyl acetate 102.69
    1,2,4-trichlorobenzene 200.76
    4-methylpyridine 239.32
    dibutyl ether 48.13
    2,6-dimethyl-4-heptanol 32.73
    DEF 259.71
    dimethyl isosorbide 194.74
    tetrachloroethylene 387.53
    eugenol 100.86
    triacetin 117.49
    span 80 72.31
    1,4-butanediol 55.27
    1,1-dichloroethane 451.34
    2-methyl-1-pentanol 69.6
    methyl formate 322.76
    2-methyl-1-butanol 70.5
    n-decane 4.4
    butyronitrile 141.41
    3,7-dimethyl-1-octanol 38.34
    1-chlorooctane 26.8
    1-chlorotetradecane 12.5
    n-nonane 3.89
    undecane 3.63
    tert-butylcyclohexane 9.56
    cyclooctane 4.51
    cyclopentanol 113.27
    tetrahydropyran 259.45
    tert-amyl methyl ether 100.09
    2,5,8-trioxanonane 189.54
    1-hexene 28.56
    2-isopropoxyethanol 134.8
    2,2,2-trifluoroethanol 123.61
    methyl butyrate 210.18

    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