Vanillyl Butyl Ether

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  • Identifiers

    CAS number
    82654-98-6

    Molecular formula
    C12H18O3

    SMILES
    CCCCOCC1=CC(=C(C=C1)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 82.71%
    Vanilla 82.4%
    Balsamic 54.5%
    Spicy 51.72%
    Fruity 50.86%
    Creamy 47.99%
    Floral 45.96%
    Phenolic 44.52%
    Powdery 39.4%
    Aromatic 37.35%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 241.00 °C. @ 760.00 mm Hg

    Flash point est.
    130.31 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Vanillyl butyl ether
    • 4-(Butoxymethyl)-2-methoxyphenol
    • 82654-98-6
    • Butyl vanillyl ether
    • Phenol, 4-(butoxymethyl)-2-methoxy-
    • FEMA No. 3796
    • UNII-S2ULN37C9R
    • S2ULN37C9R
    • DTXSID2072881
    • 4-(Butoxymethyl)-2-methoxy-Phenol
    • VANILLYL BUTYL ETHER [FHFI]
    • VANILLYL BUTYL ETHER [WHO-DD]
    • MFCD00238529
    • SCHEMBL117401
    • Vanillyl butyl ether, >=96%
    • DTXCID8048313
    • BCP18949
    • VANILLYL BUTYL ETHER [INCI]
    • Vanillyl butyl ether, >=96%, FG
    • s3965
    • AKOS015839666
    • CCG-266649
    • CS-W015110
    • DB11299
    • DS-6375
    • HY-W014394
    • 4-(Butoxymethyl)-2-methoxyphenol, 9CI
    • DA-68538
    • FB140503
    • NS00003395
    • V0161
    • O11084
    • EN300-7380608
    • Vanillyl butyl ether, natural (US), 97%, FG
    • Butyl vanillyl ether;4-(Butoxymethyl)-2-methoxyphenol
    • Q27288504
    • 444-010-7
    • 617-372-0

  • Applications

    Vanillyl butyl ether (VBE, CAS 82654-98-6) is a fragrant vanillin derivative widely adopted in cosmetics and pharmaceuticals for its ability to deliver a deep, persistent warming sensation while keeping skin irritation low; it is routinely incorporated into muscle-soothing creams, hot-feeling gels, massage oils, sports patches, slimming lotions, lip-plumping balms, scalp-stimulating tonics, relaxing shower gels, anti-dandruff shampoos and cold-hand-and-foot care formulas to boost peripheral micro-circulation; beyond these, VBE finds use in detox patches, anti-aging facial creams to enhance active uptake, and even serves as a mild vanilla nuance in perfumes and personal-care products thanks to its low volatility and thermal stability; its lipophilic nature allows easy dispersion in oils and high compatibility with polymers, silicones and emulsions across a broad pH range, enabling formulators to craft products that provide comforting warmth, sensory excitement and overall therapeutic efficacy.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3099.44
    methanol 3761.42
    isopropanol 1599.97
    water 0.93
    ethyl acetate 3729.93
    n-propanol 2023.34
    acetone 3279.35
    n-butanol 1446.25
    acetonitrile 2950.34
    DMF 1668.75
    toluene 204.43
    isobutanol 1069.78
    1,4-dioxane 2242.28
    methyl acetate 2462.17
    THF 1845.65
    2-butanone 1690.97
    n-pentanol 611.97
    sec-butanol 1055.22
    n-hexane 23.69
    ethylene glycol 564.82
    NMP 562.61
    cyclohexane 78.22
    DMSO 3851.38
    n-butyl acetate 1035.3
    n-octanol 162.92
    chloroform 2361.81
    n-propyl acetate 1106.94
    acetic acid 3132.6
    dichloromethane 2921.6
    cyclohexanone 1390.98
    propylene glycol 688.28
    isopropyl acetate 1322.94
    DMAc 861.36
    2-ethoxyethanol 1794.41
    isopentanol 992.22
    n-heptane 17.69
    ethyl formate 1288.5
    1,2-dichloroethane 2494.83
    n-hexanol 508.67
    2-methoxyethanol 3549.96
    isobutyl acetate 535.1
    tetrachloromethane 251.29
    n-pentyl acetate 367.1
    transcutol 3448.0
    n-heptanol 165.48
    ethylbenzene 121.65
    MIBK 664.8
    2-propoxyethanol 1110.66
    tert-butanol 2347.6
    MTBE 1723.1
    2-butoxyethanol 447.67
    propionic acid 1637.64
    o-xylene 142.39
    formic acid 1012.82
    diethyl ether 2309.12
    m-xylene 158.83
    p-xylene 157.46
    chlorobenzene 477.78
    dimethyl carbonate 577.89
    n-octane 11.36
    formamide 2100.95
    cyclopentanone 1452.54
    2-pentanone 1508.26
    anisole 438.13
    cyclopentyl methyl ether 850.95
    gamma-butyrolactone 1803.76
    1-methoxy-2-propanol 1822.2
    pyridine 1123.67
    3-pentanone 867.55
    furfural 1271.67
    n-dodecane 11.82
    diethylene glycol 1066.52
    diisopropyl ether 315.98
    tert-amyl alcohol 1345.72
    acetylacetone 1755.8
    n-hexadecane 13.67
    acetophenone 416.71
    methyl propionate 1730.23
    isopentyl acetate 738.09
    trichloroethylene 3371.27
    n-nonanol 147.44
    cyclohexanol 781.36
    benzyl alcohol 416.76
    2-ethylhexanol 240.06
    isooctanol 152.6
    dipropyl ether 311.17
    1,2-dichlorobenzene 428.72
    ethyl lactate 349.32
    propylene carbonate 958.83
    n-methylformamide 1423.87
    2-pentanol 819.73
    n-pentane 29.23
    1-propoxy-2-propanol 672.84
    1-methoxy-2-propyl acetate 800.33
    2-(2-methoxypropoxy) propanol 411.0
    mesitylene 112.54
    ε-caprolactone 1237.66
    p-cymene 92.89
    epichlorohydrin 2509.33
    1,1,1-trichloroethane 1467.38
    2-aminoethanol 1160.81
    morpholine-4-carbaldehyde 1074.28
    sulfolane 1589.39
    2,2,4-trimethylpentane 30.64
    2-methyltetrahydrofuran 1276.24
    n-hexyl acetate 443.0
    isooctane 26.29
    2-(2-butoxyethoxy)ethanol 649.57
    sec-butyl acetate 605.55
    tert-butyl acetate 1119.84
    decalin 35.17
    glycerin 835.93
    diglyme 1333.13
    acrylic acid 1203.34
    isopropyl myristate 155.96
    n-butyric acid 2349.35
    acetyl acetate 1554.45
    di(2-ethylhexyl) phthalate 138.22
    ethyl propionate 809.58
    nitromethane 5757.06
    1,2-diethoxyethane 982.85
    benzonitrile 466.21
    trioctyl phosphate 110.17
    1-bromopropane 909.84
    gamma-valerolactone 1702.32
    n-decanol 108.76
    triethyl phosphate 205.24
    4-methyl-2-pentanol 328.86
    propionitrile 1323.98
    vinylene carbonate 838.98
    1,1,2-trichlorotrifluoroethane 1615.26
    DMS 514.88
    cumene 93.1
    2-octanol 117.94
    2-hexanone 696.18
    octyl acetate 193.51
    limonene 140.86
    1,2-dimethoxyethane 1902.92
    ethyl orthosilicate 201.32
    tributyl phosphate 164.03
    diacetone alcohol 1060.59
    N,N-dimethylaniline 209.93
    acrylonitrile 1619.91
    aniline 486.93
    1,3-propanediol 1854.39
    bromobenzene 488.33
    dibromomethane 1681.32
    1,1,2,2-tetrachloroethane 2378.9
    2-methyl-cyclohexyl acetate 318.49
    tetrabutyl urea 178.31
    diisobutyl methanol 151.98
    2-phenylethanol 348.09
    styrene 172.8
    dioctyl adipate 241.6
    dimethyl sulfate 686.86
    ethyl butyrate 546.23
    methyl lactate 585.66
    butyl lactate 284.65
    diethyl carbonate 397.25
    propanediol butyl ether 436.52
    triethyl orthoformate 318.85
    p-tert-butyltoluene 91.04
    methyl 4-tert-butylbenzoate 290.86
    morpholine 2747.37
    tert-butylamine 1015.61
    n-dodecanol 83.13
    dimethoxymethane 1652.7
    ethylene carbonate 821.21
    cyrene 350.48
    2-ethoxyethyl acetate 662.93
    2-ethylhexyl acetate 495.18
    1,2,4-trichlorobenzene 483.57
    4-methylpyridine 795.13
    dibutyl ether 274.67
    2,6-dimethyl-4-heptanol 151.98
    DEF 1223.14
    dimethyl isosorbide 601.96
    tetrachloroethylene 1498.83
    eugenol 300.93
    triacetin 487.75
    span 80 330.36
    1,4-butanediol 497.57
    1,1-dichloroethane 1936.07
    2-methyl-1-pentanol 475.8
    methyl formate 1238.85
    2-methyl-1-butanol 842.09
    n-decane 19.13
    butyronitrile 1231.95
    3,7-dimethyl-1-octanol 189.42
    1-chlorooctane 113.04
    1-chlorotetradecane 44.41
    n-nonane 18.19
    undecane 14.28
    tert-butylcyclohexane 34.46
    cyclooctane 20.97
    cyclopentanol 644.07
    tetrahydropyran 1826.97
    tert-amyl methyl ether 767.87
    2,5,8-trioxanonane 787.16
    1-hexene 151.22
    2-isopropoxyethanol 931.69
    2,2,2-trifluoroethanol 884.16
    methyl butyrate 1083.52

    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