Benzyl butyl ether

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  • Identifiers

    CAS number
    588-67-0

    Molecular formula
    C11H16O

    SMILES
    CCCCOCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 90.88%
    Floral 75.08%
    Sweet 62.78%
    Rose 51.33%
    Green 50.88%
    Cherry 38.25%
    Almond 36.51%
    Jasmin 34.67%
    Herbal 33.38%
    Balsamic 32.76%

     

    Flavor
    Floral 59.89%
    Fruity 56.45%
    Rose 55.66%
    Earthy 39.39%
    Spicy 38.22%
    Sweet 38.18%
    Balsam 30.51%
    Pineapple 29.83%
    Green 28.28%
    Wine 28.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.93 (weak acid)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 220.00 to 224.00 °C. @ 744.00 mm Hg

    Flash point

    • 82.72 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • Benzyl butyl ether
    • 588-67-0
    • (Butoxymethyl)benzene
    • Benzyl n-butyl ether
    • Ether, benzyl butyl
    • butoxymethylbenzene
    • Butyl benzyl ether
    • BENZENE, (BUTOXYMETHYL)-
    • n-Butyl benzyl ether
    • Butoxy toluene
    • Ether, benzyl n-butyl
    • FEMA No. 2139
    • a-Butoxytoluene
    • 1-Benzyloxybutane
    • UNII-8483X8ZO8N
    • (butoxymethyl)-Benzene
    • 8483X8ZO8N
    • NSC-8476
    • EINECS 209-626-0
    • (Butoxymethyl)benzene, 9CI
    • AI3-00948
    • FEMA 2139
    • DTXSID70207529
    • BENZYL BUTYL ETHER [FHFI]
    • NSC 8476
    • butoxymethyl-benzene
    • MFCD00039954
    • (Butoxymethyl)benzene #
    • 29225-54-5
    • SCHEMBL317686
    • DTXCID70130020
    • NSC8476
    • CHEBI:195768
    • AKOS006228563
    • AS-87499
    • DB-053279
    • B0239
    • CS-0363241
    • NS00021230
    • D88615
    • Q27269505
    • 209-626-0

  • Applications

    Benzyl butyl ether (CAS 588-67-0) is used as a solvent in coatings, inks, and adhesives in industrial manufacturing; it is also used as a fragrance solvent in perfumery to dissolve and blend fragrance materials. In cosmetics and personal care, it often serves as a solvent for fragrance oils and other formulation components. As a cleaning solvent for household and industrial products, benzyl butyl ether can help dissolve oils and residues. In the polymers and plastics sector, it may be used as a processing solvent for resins and coatings. In pharmaceutical contexts, it may be used as a solvent or reaction medium in synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3409.88
    methanol 2396.95
    isopropanol 2560.37
    water 0.39
    ethyl acetate 4978.41
    n-propanol 2759.75
    acetone 4076.43
    n-butanol 3109.95
    acetonitrile 4247.28
    DMF 1439.63
    toluene 1368.17
    isobutanol 2191.93
    1,4-dioxane 5650.34
    methyl acetate 2980.54
    THF 3817.42
    2-butanone 3026.89
    n-pentanol 2096.21
    sec-butanol 2243.83
    n-hexane 1470.15
    ethylene glycol 330.84
    NMP 800.21
    cyclohexane 1998.58
    DMSO 2734.19
    n-butyl acetate 4698.15
    n-octanol 819.96
    chloroform 9666.57
    n-propyl acetate 2924.44
    acetic acid 3098.02
    dichloromethane 8875.59
    cyclohexanone 3609.09
    propylene glycol 525.22
    isopropyl acetate 2241.27
    DMAc 983.18
    2-ethoxyethanol 1992.41
    isopentanol 2574.03
    n-heptane 966.94
    ethyl formate 2161.08
    1,2-dichloroethane 6256.61
    n-hexanol 2835.3
    2-methoxyethanol 2806.37
    isobutyl acetate 1591.61
    tetrachloromethane 1372.4
    n-pentyl acetate 1329.68
    transcutol 7047.54
    n-heptanol 827.76
    ethylbenzene 880.85
    MIBK 1453.9
    2-propoxyethanol 2562.51
    tert-butanol 3120.41
    MTBE 3279.83
    2-butoxyethanol 1217.62
    propionic acid 1729.9
    o-xylene 640.23
    formic acid 398.32
    diethyl ether 5921.07
    m-xylene 710.34
    p-xylene 1022.47
    chlorobenzene 2088.08
    dimethyl carbonate 616.56
    n-octane 275.63
    formamide 620.74
    cyclopentanone 2151.96
    2-pentanone 2824.13
    anisole 1509.8
    cyclopentyl methyl ether 2256.13
    gamma-butyrolactone 2227.82
    1-methoxy-2-propanol 1927.16
    pyridine 3881.65
    3-pentanone 1933.34
    furfural 2192.65
    n-dodecane 154.28
    diethylene glycol 1295.33
    diisopropyl ether 1377.49
    tert-amyl alcohol 2074.41
    acetylacetone 2253.58
    n-hexadecane 176.12
    acetophenone 1179.02
    methyl propionate 2145.9
    isopentyl acetate 2923.1
    trichloroethylene 8445.61
    n-nonanol 702.83
    cyclohexanol 2150.87
    benzyl alcohol 1032.84
    2-ethylhexanol 1770.96
    isooctanol 695.39
    dipropyl ether 3507.16
    1,2-dichlorobenzene 1669.03
    ethyl lactate 689.45
    propylene carbonate 1802.12
    n-methylformamide 932.78
    2-pentanol 2191.25
    n-pentane 1000.44
    1-propoxy-2-propanol 2227.06
    1-methoxy-2-propyl acetate 1870.52
    2-(2-methoxypropoxy) propanol 986.08
    mesitylene 492.57
    ε-caprolactone 2881.65
    p-cymene 561.51
    epichlorohydrin 3965.05
    1,1,1-trichloroethane 5063.74
    2-aminoethanol 823.72
    morpholine-4-carbaldehyde 1691.35
    sulfolane 1990.57
    2,2,4-trimethylpentane 275.22
    2-methyltetrahydrofuran 3359.11
    n-hexyl acetate 1657.47
    isooctane 266.04
    2-(2-butoxyethoxy)ethanol 1589.05
    sec-butyl acetate 1637.45
    tert-butyl acetate 1773.7
    decalin 517.75
    glycerin 556.74
    diglyme 3258.55
    acrylic acid 1172.03
    isopropyl myristate 650.56
    n-butyric acid 3768.03
    acetyl acetate 2169.68
    di(2-ethylhexyl) phthalate 411.08
    ethyl propionate 1950.67
    nitromethane 3607.55
    1,2-diethoxyethane 3730.51
    benzonitrile 1660.7
    trioctyl phosphate 340.24
    1-bromopropane 4289.53
    gamma-valerolactone 2774.63
    n-decanol 524.04
    triethyl phosphate 644.9
    4-methyl-2-pentanol 993.94
    propionitrile 2834.61
    vinylene carbonate 1642.83
    1,1,2-trichlorotrifluoroethane 2338.64
    DMS 1065.73
    cumene 551.69
    2-octanol 544.86
    2-hexanone 2454.65
    octyl acetate 738.28
    limonene 959.95
    1,2-dimethoxyethane 4079.29
    ethyl orthosilicate 704.44
    tributyl phosphate 520.99
    diacetone alcohol 1286.62
    N,N-dimethylaniline 791.44
    acrylonitrile 2412.95
    aniline 1408.78
    1,3-propanediol 1466.37
    bromobenzene 2385.63
    dibromomethane 6541.73
    1,1,2,2-tetrachloroethane 6706.97
    2-methyl-cyclohexyl acetate 1156.23
    tetrabutyl urea 603.96
    diisobutyl methanol 914.18
    2-phenylethanol 1158.26
    styrene 1350.67
    dioctyl adipate 814.65
    dimethyl sulfate 620.02
    ethyl butyrate 2664.2
    methyl lactate 597.52
    butyl lactate 799.95
    diethyl carbonate 1510.27
    propanediol butyl ether 900.97
    triethyl orthoformate 1411.4
    p-tert-butyltoluene 513.82
    methyl 4-tert-butylbenzoate 694.65
    morpholine 5400.51
    tert-butylamine 2491.73
    n-dodecanol 431.23
    dimethoxymethane 1775.99
    ethylene carbonate 1702.28
    cyrene 557.06
    2-ethoxyethyl acetate 1559.16
    2-ethylhexyl acetate 2162.64
    1,2,4-trichlorobenzene 1648.57
    4-methylpyridine 2996.37
    dibutyl ether 2329.91
    2,6-dimethyl-4-heptanol 914.18
    DEF 2303.53
    dimethyl isosorbide 1307.49
    tetrachloroethylene 4378.69
    eugenol 703.9
    triacetin 1104.47
    span 80 913.3
    1,4-butanediol 593.8
    1,1-dichloroethane 5960.27
    2-methyl-1-pentanol 1781.95
    methyl formate 796.76
    2-methyl-1-butanol 2200.07
    n-decane 290.86
    butyronitrile 3795.2
    3,7-dimethyl-1-octanol 928.23
    1-chlorooctane 882.39
    1-chlorotetradecane 322.48
    n-nonane 338.65
    undecane 199.84
    tert-butylcyclohexane 451.06
    cyclooctane 534.66
    cyclopentanol 1351.7
    tetrahydropyran 6583.09
    tert-amyl methyl ether 1707.12
    2,5,8-trioxanonane 1769.48
    1-hexene 3482.57
    2-isopropoxyethanol 1416.58
    2,2,2-trifluoroethanol 591.22
    methyl butyrate 2904.16

    Scent© AI

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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