Butyl vanillate

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  • Identifiers

    CAS number
    5348-74-3

    Molecular formula
    C12H16O4

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

  • Odor profile

    Fragrance
    Sweet 81.12%
    Vanilla 76.72%
    Floral 71.08%
    Balsamic 63.79%
    Spicy 53.28%
    Powdery 46.6%
    Clove 41.49%
    Phenolic 41.3%
    Creamy 41.12%
    Woody 38.3%

     

    Flavor
    Woody 40.76%
    Sweet 38.93%
    Vanilla 33.52%
    Bitter 33.47%
    Balsam 33.37%
    Powdery 30.73%
    Faint 29.7%
    Spicy 29.48%
    Spice 27.52%
    Floral 27.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.81 (neutral)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    340°C

    Flash point

    • 141.17 ˚C est.

  • Synonyms

    • Butyl vanillate
    • 5348-74-3
    • 6X7PR66YRR
    • NSC-1331
    • butyl 4-hydroxy-3-methoxybenzoate
    • Vanillic acid, n-butyl ester
    • EINECS 226-307-1
    • UNII-6X7PR66YRR
    • Benzoic acid,4-hydroxy-3-methoxy-, butyl ester
    • Benzoic acid, 4-hydroxy-3-methoxy-, butyl ester
    • SCHEMBL8889247
    • CHEMBL3819596
    • DTXSID30201664
    • NSC1331
    • TUOSEEPBHUCCAO-UHFFFAOYSA-N
    • NSC 1331
    • DS-010462
    • 3-Methoxy-4-hydroxybenzoic acid butyl ester
    • 4-Hydroxy-3-methoxybenzoic acid butyl ester
    • NS00032770
    • 4-HYDROXY-3-METHOXYBENZOIC ACID, BUTYL ESTER

  • Applications

    Butyl vanillate serves primarily as a fragrance ingredient in perfumery and cosmetics, contributing a vanilla-like aroma and often acting as a fixative or aroma compound in formulations. It is also used in household products such as air fresheners and cleaners to impart a vanilla note, and in coatings and inks as an odorant additive. In industrial manufacturing, it may be employed as an intermediate in the synthesis of fragrance-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1523.72
    methanol 2988.28
    isopropanol 672.74
    water 0.5
    ethyl acetate 2508.89
    n-propanol 1065.92
    acetone 2927.31
    n-butanol 795.75
    acetonitrile 1699.48
    DMF 4443.86
    toluene 229.52
    isobutanol 501.88
    1,4-dioxane 1185.35
    methyl acetate 2042.87
    THF 1833.74
    2-butanone 1723.18
    n-pentanol 337.16
    sec-butanol 639.9
    n-hexane 4.9
    ethylene glycol 309.03
    NMP 1839.04
    cyclohexane 14.42
    DMSO 4514.73
    n-butyl acetate 687.72
    n-octanol 76.32
    chloroform 1196.56
    n-propyl acetate 713.92
    acetic acid 2119.12
    dichloromethane 1961.0
    cyclohexanone 1376.83
    propylene glycol 319.54
    isopropyl acetate 970.0
    DMAc 2240.96
    2-ethoxyethanol 1129.94
    isopentanol 537.16
    n-heptane 3.85
    ethyl formate 800.38
    1,2-dichloroethane 1705.63
    n-hexanol 237.84
    2-methoxyethanol 2851.39
    isobutyl acetate 319.31
    tetrachloromethane 81.11
    n-pentyl acetate 252.8
    transcutol 2606.32
    n-heptanol 88.8
    ethylbenzene 106.48
    MIBK 604.73
    2-propoxyethanol 696.22
    tert-butanol 1018.9
    MTBE 904.94
    2-butoxyethanol 294.59
    propionic acid 1058.99
    o-xylene 143.09
    formic acid 1047.36
    diethyl ether 1084.64
    m-xylene 157.65
    p-xylene 136.64
    chlorobenzene 415.66
    dimethyl carbonate 712.43
    n-octane 2.64
    formamide 3193.32
    cyclopentanone 2145.25
    2-pentanone 1453.3
    anisole 398.24
    cyclopentyl methyl ether 790.55
    gamma-butyrolactone 2602.29
    1-methoxy-2-propanol 1611.76
    pyridine 1225.27
    3-pentanone 888.9
    furfural 1570.02
    n-dodecane 3.6
    diethylene glycol 703.2
    diisopropyl ether 147.05
    tert-amyl alcohol 870.25
    acetylacetone 1832.27
    n-hexadecane 4.33
    acetophenone 454.66
    methyl propionate 1850.91
    isopentyl acetate 537.9
    trichloroethylene 2840.25
    n-nonanol 75.79
    cyclohexanol 473.3
    benzyl alcohol 397.79
    2-ethylhexanol 127.77
    isooctanol 80.85
    dipropyl ether 134.17
    1,2-dichlorobenzene 355.77
    ethyl lactate 250.7
    propylene carbonate 940.76
    n-methylformamide 2592.23
    2-pentanol 461.42
    n-pentane 6.5
    1-propoxy-2-propanol 407.75
    1-methoxy-2-propyl acetate 664.32
    2-(2-methoxypropoxy) propanol 323.31
    mesitylene 82.57
    ε-caprolactone 1230.09
    p-cymene 61.59
    epichlorohydrin 2965.54
    1,1,1-trichloroethane 786.11
    2-aminoethanol 727.62
    morpholine-4-carbaldehyde 1694.3
    sulfolane 2359.7
    2,2,4-trimethylpentane 10.55
    2-methyltetrahydrofuran 1230.28
    n-hexyl acetate 314.26
    isooctane 7.3
    2-(2-butoxyethoxy)ethanol 480.26
    sec-butyl acetate 429.07
    tert-butyl acetate 882.81
    decalin 12.93
    glycerin 553.0
    diglyme 1057.46
    acrylic acid 1030.58
    isopropyl myristate 105.24
    n-butyric acid 1375.63
    acetyl acetate 1087.1
    di(2-ethylhexyl) phthalate 104.37
    ethyl propionate 584.52
    nitromethane 5902.71
    1,2-diethoxyethane 608.1
    benzonitrile 443.46
    trioctyl phosphate 72.98
    1-bromopropane 432.6
    gamma-valerolactone 2280.25
    n-decanol 55.6
    triethyl phosphate 144.8
    4-methyl-2-pentanol 195.87
    propionitrile 891.61
    vinylene carbonate 843.19
    1,1,2-trichlorotrifluoroethane 1447.81
    DMS 476.67
    cumene 67.61
    2-octanol 59.38
    2-hexanone 482.6
    octyl acetate 134.79
    limonene 96.88
    1,2-dimethoxyethane 1311.28
    ethyl orthosilicate 134.04
    tributyl phosphate 116.05
    diacetone alcohol 991.05
    N,N-dimethylaniline 205.12
    acrylonitrile 1428.43
    aniline 553.04
    1,3-propanediol 1142.31
    bromobenzene 382.98
    dibromomethane 865.22
    1,1,2,2-tetrachloroethane 1770.56
    2-methyl-cyclohexyl acetate 236.77
    tetrabutyl urea 136.21
    diisobutyl methanol 83.11
    2-phenylethanol 284.9
    styrene 159.44
    dioctyl adipate 181.96
    dimethyl sulfate 1045.96
    ethyl butyrate 374.48
    methyl lactate 567.95
    butyl lactate 198.21
    diethyl carbonate 266.03
    propanediol butyl ether 283.31
    triethyl orthoformate 200.94
    p-tert-butyltoluene 59.61
    methyl 4-tert-butylbenzoate 263.7
    morpholine 1904.21
    tert-butylamine 381.08
    n-dodecanol 41.5
    dimethoxymethane 2195.66
    ethylene carbonate 708.09
    cyrene 338.97
    2-ethoxyethyl acetate 541.0
    2-ethylhexyl acetate 359.32
    1,2,4-trichlorobenzene 457.18
    4-methylpyridine 1184.89
    dibutyl ether 129.97
    2,6-dimethyl-4-heptanol 83.11
    DEF 1734.63
    dimethyl isosorbide 539.13
    tetrachloroethylene 951.71
    eugenol 253.68
    triacetin 380.34
    span 80 224.79
    1,4-butanediol 257.08
    1,1-dichloroethane 1102.99
    2-methyl-1-pentanol 306.1
    methyl formate 1687.2
    2-methyl-1-butanol 525.06
    n-decane 5.38
    butyronitrile 674.42
    3,7-dimethyl-1-octanol 108.21
    1-chlorooctane 45.73
    1-chlorotetradecane 19.49
    n-nonane 4.2
    undecane 4.26
    tert-butylcyclohexane 11.38
    cyclooctane 4.41
    cyclopentanol 522.38
    tetrahydropyran 1021.71
    tert-amyl methyl ether 575.21
    2,5,8-trioxanonane 613.68
    1-hexene 48.76
    2-isopropoxyethanol 586.14
    2,2,2-trifluoroethanol 661.08
    methyl butyrate 776.82

    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