Ethyl vanillin isobutyrate

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  • Identifiers

    CAS number
    188417-26-7

    Molecular formula
    C13H16O4

    SMILES
    CCOC1=C(C=CC(=C1)C=O)OC(=O)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 80.72%
    Sweet 61.34%
    Caramellic 60.58%
    Vanilla 52.91%
    Berry 44.8%
    Creamy 44.74%
    Floral 33.91%
    Powdery 32.54%
    Strawberry 31.32%
    Tropical 31.05%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    Molecular weight
    236.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 57.00 °C. @ 760.00 mm Hg

    Boiling point

    • 295.00 to 296.00 °C. @ 760.00 mm Hg

    Flash point est.
    136.88 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • freely soluble (in ethanol)

  • Synonyms

    • Ethyl vanillin isobutyrate
    • 188417-26-7
    • 2-Ethoxy-4-formylphenyl isobutyrate
    • 2-ethoxy-4-formylphenyl 2-methylpropanoate
    • Propanoic acid, 2-methyl-, 2-ethoxy-4-formylphenyl ester
    • ethylvanillin isobutyrate
    • UDU0O5YSL5
    • 4-Isobutanoyloxy-3-ethoxybenzaldehyde
    • FEMA No. 3837
    • (2-ethoxy-4-formylphenyl) 2-methylpropanoate
    • UNII-UDU0O5YSL5
    • MFCD02815443
    • CHEBI:143870
    • DTXSID20870181
    • Ethyl vanillin isobutyrate [FIFH]
    • 2-Methylpropanoic acid 2-ethoxy-4-formylphenyl ester
    • ETHYL VANILLIN ISOBUTYRATE [FHFI]
    • Ethyl vanillin isobutyrate (FIFH)
    • SCHEMBL891304
    • DTXCID80817976
    • BTCQMCOBMIXUCG-UHFFFAOYSA-N
    • 2-Ethoxy-4-formylphenylisobutyrate
    • 4-formyl-2-ethoxyphenyl isobutyrate
    • ALBB-034936
    • STK764537
    • AKOS001740298
    • DS-19829
    • SY113614
    • CS-0151494
    • 3-ethoxy-4-hydroxybenzaldehyde; 2-methylpropanoate
    • AG-205/40650328
    • SR-01000090658
    • SR-01000090658-1
    • Q27291033
    • 444-930-9
    • 606-142-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 404.62
    methanol 658.91
    isopropanol 240.05
    water 0.8
    ethyl acetate 1392.75
    n-propanol 274.39
    acetone 1768.98
    n-butanol 282.06
    acetonitrile 1402.36
    DMF 1495.86
    toluene 562.96
    isobutanol 215.79
    1,4-dioxane 896.77
    methyl acetate 1524.83
    THF 1152.97
    2-butanone 1249.96
    n-pentanol 227.33
    sec-butanol 271.43
    n-hexane 18.34
    ethylene glycol 71.92
    NMP 1139.12
    cyclohexane 43.25
    DMSO 1310.25
    n-butyl acetate 830.05
    n-octanol 105.28
    chloroform 2118.04
    n-propyl acetate 753.12
    acetic acid 1002.39
    dichloromethane 2770.35
    cyclohexanone 1193.68
    propylene glycol 71.38
    isopropyl acetate 604.33
    DMAc 1501.74
    2-ethoxyethanol 516.89
    isopentanol 293.92
    n-heptane 11.03
    ethyl formate 802.43
    1,2-dichloroethane 1756.72
    n-hexanol 211.29
    2-methoxyethanol 697.05
    isobutyl acetate 373.13
    tetrachloromethane 186.94
    n-pentyl acetate 293.58
    transcutol 1112.45
    n-heptanol 100.98
    ethylbenzene 277.73
    MIBK 425.16
    2-propoxyethanol 403.5
    tert-butanol 413.0
    MTBE 564.15
    2-butoxyethanol 252.57
    propionic acid 493.21
    o-xylene 317.84
    formic acid 344.04
    diethyl ether 579.93
    m-xylene 284.01
    p-xylene 390.45
    chlorobenzene 746.58
    dimethyl carbonate 492.04
    n-octane 8.91
    formamide 848.92
    cyclopentanone 1425.37
    2-pentanone 898.27
    anisole 565.84
    cyclopentyl methyl ether 502.74
    gamma-butyrolactone 1804.73
    1-methoxy-2-propanol 433.43
    pyridine 1375.61
    3-pentanone 693.42
    furfural 1427.7
    n-dodecane 10.05
    diethylene glycol 304.59
    diisopropyl ether 140.93
    tert-amyl alcohol 399.68
    acetylacetone 1159.25
    n-hexadecane 11.77
    acetophenone 619.1
    methyl propionate 946.22
    isopentyl acetate 591.28
    trichloroethylene 3335.35
    n-nonanol 95.9
    cyclohexanol 323.35
    benzyl alcohol 450.05
    2-ethylhexanol 156.44
    isooctanol 90.06
    dipropyl ether 165.86
    1,2-dichlorobenzene 611.45
    ethyl lactate 226.96
    propylene carbonate 967.58
    n-methylformamide 872.99
    2-pentanol 209.8
    n-pentane 14.73
    1-propoxy-2-propanol 265.68
    1-methoxy-2-propyl acetate 491.13
    2-(2-methoxypropoxy) propanol 242.69
    mesitylene 141.99
    ε-caprolactone 1002.59
    p-cymene 118.94
    epichlorohydrin 1860.76
    1,1,1-trichloroethane 1233.94
    2-aminoethanol 138.1
    morpholine-4-carbaldehyde 968.38
    sulfolane 1351.97
    2,2,4-trimethylpentane 20.52
    2-methyltetrahydrofuran 898.9
    n-hexyl acetate 358.22
    isooctane 10.74
    2-(2-butoxyethoxy)ethanol 323.92
    sec-butyl acetate 437.03
    tert-butyl acetate 535.9
    decalin 38.23
    glycerin 124.58
    diglyme 748.98
    acrylic acid 502.52
    isopropyl myristate 126.19
    n-butyric acid 709.26
    acetyl acetate 858.74
    di(2-ethylhexyl) phthalate 123.89
    ethyl propionate 596.47
    nitromethane 2484.5
    1,2-diethoxyethane 461.55
    benzonitrile 684.81
    trioctyl phosphate 86.36
    1-bromopropane 615.07
    gamma-valerolactone 1446.32
    n-decanol 71.73
    triethyl phosphate 185.11
    4-methyl-2-pentanol 130.88
    propionitrile 710.09
    vinylene carbonate 939.06
    1,1,2-trichlorotrifluoroethane 868.37
    DMS 460.25
    cumene 150.55
    2-octanol 78.15
    2-hexanone 563.86
    octyl acetate 167.53
    limonene 159.53
    1,2-dimethoxyethane 938.33
    ethyl orthosilicate 163.24
    tributyl phosphate 128.18
    diacetone alcohol 464.14
    N,N-dimethylaniline 309.23
    acrylonitrile 1050.3
    aniline 543.51
    1,3-propanediol 258.54
    bromobenzene 850.07
    dibromomethane 1495.45
    1,1,2,2-tetrachloroethane 2059.2
    2-methyl-cyclohexyl acetate 274.41
    tetrabutyl urea 154.26
    diisobutyl methanol 91.7
    2-phenylethanol 348.21
    styrene 404.58
    dioctyl adipate 198.79
    dimethyl sulfate 594.06
    ethyl butyrate 453.82
    methyl lactate 265.42
    butyl lactate 197.37
    diethyl carbonate 356.38
    propanediol butyl ether 194.42
    triethyl orthoformate 242.41
    p-tert-butyltoluene 107.67
    methyl 4-tert-butylbenzoate 284.13
    morpholine 933.39
    tert-butylamine 208.96
    n-dodecanol 56.48
    dimethoxymethane 849.61
    ethylene carbonate 756.98
    cyrene 290.77
    2-ethoxyethyl acetate 452.72
    2-ethylhexyl acetate 453.69
    1,2,4-trichlorobenzene 726.88
    4-methylpyridine 1400.17
    dibutyl ether 168.31
    2,6-dimethyl-4-heptanol 91.7
    DEF 940.87
    dimethyl isosorbide 445.36
    tetrachloroethylene 1268.31
    eugenol 267.25
    triacetin 363.74
    span 80 173.52
    1,4-butanediol 117.78
    1,1-dichloroethane 1442.44
    2-methyl-1-pentanol 279.72
    methyl formate 892.2
    2-methyl-1-butanol 276.25
    n-decane 15.05
    butyronitrile 635.04
    3,7-dimethyl-1-octanol 124.97
    1-chlorooctane 91.06
    1-chlorotetradecane 40.4
    n-nonane 13.07
    undecane 11.88
    tert-butylcyclohexane 30.45
    cyclooctane 12.2
    cyclopentanol 298.49
    tetrahydropyran 783.53
    tert-amyl methyl ether 428.65
    2,5,8-trioxanonane 439.65
    1-hexene 131.23
    2-isopropoxyethanol 350.91
    2,2,2-trifluoroethanol 382.32
    methyl butyrate 849.09

    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