Ethyl homovanillate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    60563-13-5

    Molecular formula
    C11H14O4

    SMILES
    CCOC(=O)CC1=CC(=C(C=C1)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 70.01%
    Sweet 65.34%
    Spicy 55.55%
    Phenolic 52.34%
    Floral 49.51%
    Powdery 48.94%
    Balsamic 47.73%
    Creamy 41.54%
    Woody 41.43%
    Fruity 39.91%

     

    Flavor
    Sweet 74.31%
    Floral 44.72%
    Woody 44.01%
    Vanilla 41.73%
    Powdery 40.21%
    Spicy 36.64%
    Fruity 35.98%
    Spice 35.3%
    Bitter 35.25%
    Creamy 35.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.03 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 144.13 ˚C est.

    Solubility expt.

    • Insoluble

  • Synonyms

    • Ethyl homovanillate
    • 60563-13-5
    • Ethyl 4-hydroxy-3-methoxyphenylacetate
    • 4-HYDROXY-3-METHOXYPHENYLACETIC ACID ETHYL ESTER
    • K3SBN6E2A9
    • EINECS 262-298-0
    • ethyl-2-(4-hydroxy-3-methoxyphenyl)acetate
    • FEMA NO. 4810
    • DTXSID30209367
    • RefChem:596209
    • DTXCID50131858
    • Ethyl-2-(4-hydroxy-3-methoxy-phenyl)acetate
    • 262-298-0
    • ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
    • MFCD00009180
    • Benzeneacetic acid, 4-hydroxy-3-methoxy-, ethyl ester
    • ethyl (4-hydroxy-3-methoxyphenyl)acetate
    • Ethyl homovanillate, 97%
    • UNII-K3SBN6E2A9
    • 3-methoxy-4-hydroxybenzeneacetic acid ethyl ester
    • (4-hydroxy-3-methoxy-phenyl)-acetic acid ethyl ester
    • SCHEMBL2002022
    • CHEMBL3747410
    • SCHEMBL30038050
    • AWPMWZHWVKXADV-UHFFFAOYSA-
    • AKOS005259451
    • FE12597
    • ethyl 3-methoxy-4-hydroxy-phenylacetate
    • Ethyl 4-hydroxy-3-methoxyphenyl acetate
    • ethyl(4-hydroxy-3-methoxyphenyl)acetate
    • DS-14492
    • SY066627
    • DB-006833
    • NS00034390
    • ST51038044
    • ethyl [4-hydroxy-3-(methyloxy)phenyl]acetate
    • ethyl 2-(4-hydroxy-3-methoxy-phenyl)acetate
    • Ethyl 4-Hydroxy-3-methoxyphenylacetate, 98%
    • 2-(4'-hydroxy-3'-methoxyphenyl)ethyl acetate
    • E75840
    • F329213
    • Benzeneacetic acid,4-hydroxy-3-methoxy-,ethyl ester
    • InChI=1/C11H14O4/c1-3-15-11(13)7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3
    • 60563-13-5

  • Applications

    Ethyl homovanillate is primarily used as a fragrance ingredient and odorant in perfumery, providing vanilla-like aroma notes with subtle floral or woody nuances. It is commonly evaluated as an intermediate in fragrance synthesis, enabling the construction of more complex aroma compounds. In cosmetics and personal care, it may be employed to impart a sweet vanilla scent in lotions, creams, and toiletries. It can also be used in household products such as detergents and air fresheners as a scent component. In industrial manufacturing, it may serve as a chemical building block or precursor for aroma-related intermediates in polymers or coatings. Overall, usage is formulation-specific and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.23
    methanol 81.26
    isopropanol 42.21
    water 0.47
    ethyl acetate 65.1
    n-propanol 43.91
    acetone 183.46
    n-butanol 39.09
    acetonitrile 91.48
    DMF 478.82
    toluene 9.82
    isobutanol 29.47
    1,4-dioxane 128.46
    methyl acetate 82.79
    THF 206.65
    2-butanone 95.15
    n-pentanol 38.02
    sec-butanol 41.54
    n-hexane 3.06
    ethylene glycol 45.47
    NMP 286.37
    cyclohexane 2.52
    DMSO 983.46
    n-butyl acetate 54.78
    n-octanol 16.7
    chloroform 156.29
    n-propyl acetate 50.95
    acetic acid 181.35
    dichloromethane 194.57
    cyclohexanone 110.02
    propylene glycol 41.14
    isopropyl acetate 40.44
    DMAc 395.99
    2-ethoxyethanol 139.3
    isopentanol 39.61
    n-heptane 1.66
    ethyl formate 55.26
    1,2-dichloroethane 152.57
    n-hexanol 33.37
    2-methoxyethanol 206.29
    isobutyl acetate 27.07
    tetrachloromethane 15.59
    n-pentyl acetate 26.89
    transcutol 321.77
    n-heptanol 15.12
    ethylbenzene 13.02
    MIBK 49.37
    2-propoxyethanol 97.24
    tert-butanol 112.91
    MTBE 61.44
    2-butoxyethanol 46.18
    propionic acid 84.55
    o-xylene 15.59
    formic acid 108.4
    diethyl ether 56.98
    m-xylene 11.71
    p-xylene 15.99
    chlorobenzene 36.79
    dimethyl carbonate 59.5
    n-octane 0.83
    formamide 209.62
    cyclopentanone 173.08
    2-pentanone 72.6
    anisole 64.96
    cyclopentyl methyl ether 60.79
    gamma-butyrolactone 215.36
    1-methoxy-2-propanol 135.54
    pyridine 65.27
    3-pentanone 61.54
    furfural 190.07
    n-dodecane 1.04
    diethylene glycol 122.14
    diisopropyl ether 14.0
    tert-amyl alcohol 86.34
    acetylacetone 122.16
    n-hexadecane 1.21
    acetophenone 70.65
    methyl propionate 73.24
    isopentyl acetate 49.26
    trichloroethylene 240.92
    n-nonanol 16.44
    cyclohexanol 36.0
    benzyl alcohol 50.89
    2-ethylhexanol 22.33
    isooctanol 13.89
    dipropyl ether 24.66
    1,2-dichlorobenzene 50.54
    ethyl lactate 48.33
    propylene carbonate 97.0
    n-methylformamide 160.72
    2-pentanol 28.86
    n-pentane 1.85
    1-propoxy-2-propanol 67.58
    1-methoxy-2-propyl acetate 74.65
    2-(2-methoxypropoxy) propanol 87.46
    mesitylene 9.61
    ε-caprolactone 98.48
    p-cymene 12.52
    epichlorohydrin 231.64
    1,1,1-trichloroethane 77.4
    2-aminoethanol 60.4
    morpholine-4-carbaldehyde 240.32
    sulfolane 388.12
    2,2,4-trimethylpentane 2.7
    2-methyltetrahydrofuran 94.23
    n-hexyl acetate 41.06
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 94.79
    sec-butyl acetate 31.59
    tert-butyl acetate 64.85
    decalin 3.43
    glycerin 109.62
    diglyme 187.62
    acrylic acid 102.38
    isopropyl myristate 18.2
    n-butyric acid 75.77
    acetyl acetate 53.43
    di(2-ethylhexyl) phthalate 25.62
    ethyl propionate 50.76
    nitromethane 388.72
    1,2-diethoxyethane 71.12
    benzonitrile 49.01
    trioctyl phosphate 17.22
    1-bromopropane 48.07
    gamma-valerolactone 202.67
    n-decanol 12.68
    triethyl phosphate 37.76
    4-methyl-2-pentanol 20.78
    propionitrile 55.37
    vinylene carbonate 89.9
    1,1,2-trichlorotrifluoroethane 209.21
    DMS 67.43
    cumene 12.27
    2-octanol 10.84
    2-hexanone 59.45
    octyl acetate 23.9
    limonene 19.27
    1,2-dimethoxyethane 208.13
    ethyl orthosilicate 32.12
    tributyl phosphate 26.1
    diacetone alcohol 99.41
    N,N-dimethylaniline 48.75
    acrylonitrile 87.33
    aniline 36.34
    1,3-propanediol 78.19
    bromobenzene 30.92
    dibromomethane 113.69
    1,1,2,2-tetrachloroethane 191.03
    2-methyl-cyclohexyl acetate 44.62
    tetrabutyl urea 37.41
    diisobutyl methanol 15.24
    2-phenylethanol 42.98
    styrene 16.61
    dioctyl adipate 38.46
    dimethyl sulfate 168.25
    ethyl butyrate 43.53
    methyl lactate 74.59
    butyl lactate 34.25
    diethyl carbonate 39.09
    propanediol butyl ether 53.97
    triethyl orthoformate 37.98
    p-tert-butyltoluene 12.56
    methyl 4-tert-butylbenzoate 59.44
    morpholine 158.09
    tert-butylamine 47.98
    n-dodecanol 10.03
    dimethoxymethane 169.96
    ethylene carbonate 68.59
    cyrene 95.44
    2-ethoxyethyl acetate 54.27
    2-ethylhexyl acetate 37.62
    1,2,4-trichlorobenzene 63.17
    4-methylpyridine 62.86
    dibutyl ether 21.83
    2,6-dimethyl-4-heptanol 15.24
    DEF 115.78
    dimethyl isosorbide 124.86
    tetrachloroethylene 107.76
    eugenol 60.54
    triacetin 66.02
    span 80 53.06
    1,4-butanediol 37.39
    1,1-dichloroethane 86.1
    2-methyl-1-pentanol 39.19
    methyl formate 125.0
    2-methyl-1-butanol 36.38
    n-decane 1.63
    butyronitrile 45.79
    3,7-dimethyl-1-octanol 20.31
    1-chlorooctane 10.25
    1-chlorotetradecane 4.65
    n-nonane 1.39
    undecane 1.26
    tert-butylcyclohexane 3.29
    cyclooctane 1.07
    cyclopentanol 42.84
    tetrahydropyran 67.58
    tert-amyl methyl ether 52.24
    2,5,8-trioxanonane 145.15
    1-hexene 13.29
    2-isopropoxyethanol 78.29
    2,2,2-trifluoroethanol 90.86
    methyl butyrate 67.92

    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