Ethyl vanillate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    617-05-0

    Molecular formula
    C10H12O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.12%
    Vanilla 78.72%
    Floral 75.12%
    Spicy 56.52%
    Powdery 55.39%
    Balsamic 55.12%
    Phenolic 51.57%
    Creamy 44.0%
    Clove 43.9%
    Woody 40.28%

     

    Flavor
    Sweet 60.98%
    Bitter 47.31%
    Vanilla 45.48%
    Woody 40.77%
    Powdery 40.45%
    Floral 37.44%
    Balsam 34.72%
    Creamy 32.26%
    Balsamic 29.71%
    Flower 29.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.69 (neutral)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 132.26 ˚C est.

  • Synonyms

    • Ethyl vanillate
    • Ethyl 4-hydroxy-3-methoxybenzoate
    • 617-05-0
    • 4-Hydroxy-3-methoxybenzoic acid ethyl ester
    • VANILLIC ACID, ETHYL ESTER
    • Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester
    • 3-Methoxy-4-hydroxybenzoic acid, ethyl ester
    • m-Anisic acid, 4-hydroxy-, ethyl ester
    • NSC 8513
    • EINECS 210-503-9
    • UNII-V38JK4Z93O
    • BRN 2100025
    • V38JK4Z93O
    • AI3-06151
    • NSC-8513
    • MFCD00017269
    • CHEMBL4206971
    • DTXSID2060670
    • 3-10-00-01413 (Beilstein Handbook Reference)
    • ETHYL-4-HYDROXY-3-METHOXYBENZOATE
    • Vanilicacidethylester; 97%
    • ethyl 4-hydroxy-3-methoxy-benzoate
    • Vanilic acid ethyl ester
    • Vanillic Acid Ethyl Ester
    • m-Anisic acid, ethyl ester
    • WLN: 2OVR DQ CO1
    • SCHEMBL155638
    • DTXCID3043100
    • ethyl 4-hydoxy-3-methoxybenzoate
    • NSC8513
    • CHEBI:181310
    • ethyl 3-methoxy-4-hydroxybenzoate
    • HY-B1643
    • BDBM50450894
    • s3993
    • AKOS006227599
    • CCG-266551
    • FH71031
    • 4-Hydroxy-3-methoxybenzoate ethyl ester
    • AS-14750
    • SY015808
    • Vanillic acid ethyl ester;Ethyl vanillate
    • CS-0013594
    • NS00012475
    • V0051
    • Ethyl vanillate, analytical reference material
    • F14083
    • Q27291476
    • 210-503-9

  • Applications

    Ethyl vanillate (CAS 617-05-0) is an aroma-related ester with a vanilla-like scent used primarily as a vanilla fragrance ingredient. In perfumery, it contributes sweet vanilla notes and may function as a fragrance component, odorant, or a scent fixative. In flavor and consumer products, it may be used as a flavoring compound or aroma enhancer, subject to regulatory limits. It is also employed in cosmetics and personal care as a fragrance ingredient. In household products such as cleaners and detergents, as well as in coatings, inks, and plastics, it can be added as a fragrance additive to impart vanilla notes. Additionally, it is encountered as an intermediate in the synthesis of vanilla-related esters and other fragrance compounds in industrial manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.63
    methanol 218.52
    isopropanol 119.13
    water 0.97
    ethyl acetate 300.79
    n-propanol 121.62
    acetone 625.83
    n-butanol 99.74
    acetonitrile 300.48
    DMF 1451.42
    toluene 46.44
    isobutanol 78.31
    1,4-dioxane 358.84
    methyl acetate 357.44
    THF 733.95
    2-butanone 354.42
    n-pentanol 80.09
    sec-butanol 116.59
    n-hexane 4.12
    ethylene glycol 78.75
    NMP 885.61
    cyclohexane 5.42
    DMSO 2022.09
    n-butyl acetate 199.18
    n-octanol 35.99
    chloroform 315.79
    n-propyl acetate 207.19
    acetic acid 449.15
    dichloromethane 515.53
    cyclohexanone 365.45
    propylene glycol 60.56
    isopropyl acetate 173.7
    DMAc 842.54
    2-ethoxyethanol 310.86
    isopentanol 103.19
    n-heptane 3.7
    ethyl formate 181.97
    1,2-dichloroethane 449.56
    n-hexanol 69.98
    2-methoxyethanol 493.45
    isobutyl acetate 101.36
    tetrachloromethane 34.58
    n-pentyl acetate 88.11
    transcutol 683.98
    n-heptanol 36.41
    ethylbenzene 48.31
    MIBK 152.38
    2-propoxyethanol 210.33
    tert-butanol 264.99
    MTBE 224.68
    2-butoxyethanol 107.07
    propionic acid 205.02
    o-xylene 53.89
    formic acid 280.25
    diethyl ether 188.18
    m-xylene 46.84
    p-xylene 58.82
    chlorobenzene 115.22
    dimethyl carbonate 234.93
    n-octane 2.19
    formamide 828.75
    cyclopentanone 729.08
    2-pentanone 263.39
    anisole 192.35
    cyclopentyl methyl ether 243.57
    gamma-butyrolactone 958.08
    1-methoxy-2-propanol 317.09
    pyridine 280.77
    3-pentanone 211.66
    furfural 630.23
    n-dodecane 2.54
    diethylene glycol 217.3
    diisopropyl ether 52.12
    tert-amyl alcohol 222.78
    acetylacetone 437.08
    n-hexadecane 3.07
    acetophenone 216.65
    methyl propionate 315.42
    isopentyl acetate 161.25
    trichloroethylene 750.7
    n-nonanol 35.74
    cyclohexanol 94.8
    benzyl alcohol 141.18
    2-ethylhexanol 51.39
    isooctanol 32.78
    dipropyl ether 67.91
    1,2-dichlorobenzene 142.71
    ethyl lactate 110.56
    propylene carbonate 323.67
    n-methylformamide 592.68
    2-pentanol 80.82
    n-pentane 3.99
    1-propoxy-2-propanol 137.5
    1-methoxy-2-propyl acetate 204.7
    2-(2-methoxypropoxy) propanol 150.11
    mesitylene 33.24
    ε-caprolactone 331.52
    p-cymene 33.58
    epichlorohydrin 853.19
    1,1,1-trichloroethane 217.52
    2-aminoethanol 119.25
    morpholine-4-carbaldehyde 723.68
    sulfolane 1218.68
    2,2,4-trimethylpentane 6.2
    2-methyltetrahydrofuran 392.48
    n-hexyl acetate 117.62
    isooctane 3.73
    2-(2-butoxyethoxy)ethanol 172.94
    sec-butyl acetate 124.9
    tert-butyl acetate 234.81
    decalin 8.23
    glycerin 152.84
    diglyme 416.38
    acrylic acid 262.44
    isopropyl myristate 49.38
    n-butyric acid 204.49
    acetyl acetate 230.21
    di(2-ethylhexyl) phthalate 49.37
    ethyl propionate 172.43
    nitromethane 1424.39
    1,2-diethoxyethane 188.13
    benzonitrile 151.58
    trioctyl phosphate 36.4
    1-bromopropane 123.33
    gamma-valerolactone 738.3
    n-decanol 27.5
    triethyl phosphate 84.09
    4-methyl-2-pentanol 53.63
    propionitrile 177.64
    vinylene carbonate 302.64
    1,1,2-trichlorotrifluoroethane 485.56
    DMS 201.07
    cumene 35.38
    2-octanol 27.42
    2-hexanone 171.87
    octyl acetate 61.06
    limonene 48.1
    1,2-dimethoxyethane 447.47
    ethyl orthosilicate 72.78
    tributyl phosphate 54.47
    diacetone alcohol 265.36
    N,N-dimethylaniline 126.32
    acrylonitrile 318.83
    aniline 124.19
    1,3-propanediol 162.67
    bromobenzene 105.09
    dibromomethane 256.15
    1,1,2,2-tetrachloroethane 476.07
    2-methyl-cyclohexyl acetate 110.83
    tetrabutyl urea 74.3
    diisobutyl methanol 36.23
    2-phenylethanol 107.63
    styrene 62.96
    dioctyl adipate 86.46
    dimethyl sulfate 507.69
    ethyl butyrate 133.3
    methyl lactate 163.49
    butyl lactate 77.54
    diethyl carbonate 108.92
    propanediol butyl ether 99.99
    triethyl orthoformate 95.87
    p-tert-butyltoluene 32.8
    methyl 4-tert-butylbenzoate 138.57
    morpholine 457.69
    tert-butylamine 108.57
    n-dodecanol 21.18
    dimethoxymethane 612.72
    ethylene carbonate 232.27
    cyrene 194.04
    2-ethoxyethyl acetate 167.77
    2-ethylhexyl acetate 120.05
    1,2,4-trichlorobenzene 185.85
    4-methylpyridine 255.75
    dibutyl ether 60.76
    2,6-dimethyl-4-heptanol 36.23
    DEF 387.52
    dimethyl isosorbide 286.23
    tetrachloroethylene 301.95
    eugenol 132.92
    triacetin 176.6
    span 80 94.53
    1,4-butanediol 67.56
    1,1-dichloroethane 240.22
    2-methyl-1-pentanol 87.54
    methyl formate 484.65
    2-methyl-1-butanol 93.87
    n-decane 3.94
    butyronitrile 126.35
    3,7-dimethyl-1-octanol 43.84
    1-chlorooctane 25.84
    1-chlorotetradecane 12.09
    n-nonane 3.3
    undecane 3.1
    tert-butylcyclohexane 7.41
    cyclooctane 2.47
    cyclopentanol 135.77
    tetrahydropyran 241.27
    tert-amyl methyl ether 174.19
    2,5,8-trioxanonane 259.64
    1-hexene 25.52
    2-isopropoxyethanol 180.25
    2,2,2-trifluoroethanol 227.51
    methyl butyrate 226.5

    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