Butyl phenethyl ether

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  • Identifiers

    CAS number
    5331-14-6

    Molecular formula
    C12H18O

    SMILES
    CCCCOCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 84.6%
    Floral 76.18%
    Rose 58.09%
    Hyacinth 52.69%
    Fruity 48.37%
    Metallic 42.16%
    Leafy 40.99%
    Earthy 38.36%
    Sweet 36.8%
    Herbal 36.59%

     

    Flavor
    Green 66.4%
    Floral 62.58%
    Rose 62.3%
    Hyacinth 43.72%
    Earthy 40.64%
    Honey 36.47%
    Sweet 36.23%
    Spicy 34.53%
    Balsam 34.53%
    Fruity 31.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.38 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 95.3 ˚C est.

  • Synonyms

    • 2-butoxyethylbenzene
    • 5331-14-6
    • Benzene, (2-butoxyethyl)-
    • (2-Butoxyethyl)benzene
    • Butyl phenethyl ether
    • ULS8QVB0DO
    • Phenylethyl n-butyl ether
    • NSC 2252
    • NSC-2252
    • EINECS 226-226-1
    • AI3-19956
    • DTXSID5063784
    • CRESSANTHER
    • phenethyl butyl ether
    • UNII-ULS8QVB0DO
    • SCHEMBL144042
    • DTXCID1041396
    • 2-PHENYLETHYL BUTYL ETHER
    • NSC2252
    • KLJOZKBZXLRMLU-UHFFFAOYSA-N
    • MFCD00169848
    • AKOS006274682
    • NS00012060
    • S10144
    • Q63409301
    • 226-226-1

  • Applications

    Butyl phenethyl ether (CAS 5331-14-6) finds utility as a fragrance-related compound and odorant in perfumery and cosmetics, and may function as a fixative contributing floral notes. It can act as a solvent or co-solvent in fragrance concentrates and household formulations. In industrial manufacturing it is used as an intermediate in organic synthesis for specialty chemicals. It may be employed as a processing solvent or additive in coatings, inks, and adhesives, and may be evaluated for use in polymer or plastics formulations where ether solvents are appropriate, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2402.62
    methanol 1440.51
    isopropanol 1767.34
    water 0.11
    ethyl acetate 3397.14
    n-propanol 2014.69
    acetone 2025.51
    n-butanol 2027.93
    acetonitrile 2287.57
    DMF 626.2
    toluene 1129.93
    isobutanol 1400.96
    1,4-dioxane 4783.18
    methyl acetate 1994.74
    THF 3099.27
    2-butanone 1996.59
    n-pentanol 1528.31
    sec-butanol 1629.85
    n-hexane 1094.66
    ethylene glycol 196.57
    NMP 439.94
    cyclohexane 1768.11
    DMSO 1970.26
    n-butyl acetate 2836.8
    n-octanol 499.66
    chloroform 6857.93
    n-propyl acetate 1856.88
    acetic acid 1339.51
    dichloromethane 7148.45
    cyclohexanone 2459.02
    propylene glycol 379.06
    isopropyl acetate 1492.03
    DMAc 577.23
    2-ethoxyethanol 1462.34
    isopentanol 1634.41
    n-heptane 799.87
    ethyl formate 1121.47
    1,2-dichloroethane 4837.77
    n-hexanol 2014.84
    2-methoxyethanol 1726.83
    isobutyl acetate 1023.8
    tetrachloromethane 995.25
    n-pentyl acetate 847.96
    transcutol 5362.64
    n-heptanol 494.28
    ethylbenzene 630.28
    MIBK 957.74
    2-propoxyethanol 1891.67
    tert-butanol 1902.7
    MTBE 2341.32
    2-butoxyethanol 766.53
    propionic acid 992.51
    o-xylene 541.55
    formic acid 184.01
    diethyl ether 4658.62
    m-xylene 577.06
    p-xylene 685.28
    chlorobenzene 1397.55
    dimethyl carbonate 351.17
    n-octane 191.45
    formamide 284.84
    cyclopentanone 1390.12
    2-pentanone 1868.22
    anisole 1015.42
    cyclopentyl methyl ether 1755.22
    gamma-butyrolactone 1445.61
    1-methoxy-2-propanol 1223.01
    pyridine 2787.22
    3-pentanone 1405.59
    furfural 1271.98
    n-dodecane 105.62
    diethylene glycol 904.79
    diisopropyl ether 1034.22
    tert-amyl alcohol 1329.74
    acetylacetone 1440.0
    n-hexadecane 122.45
    acetophenone 753.87
    methyl propionate 1411.96
    isopentyl acetate 1780.02
    trichloroethylene 5345.64
    n-nonanol 446.68
    cyclohexanol 1605.31
    benzyl alcohol 686.23
    2-ethylhexanol 1207.34
    isooctanol 421.0
    dipropyl ether 2811.73
    1,2-dichlorobenzene 1149.15
    ethyl lactate 442.88
    propylene carbonate 1075.03
    n-methylformamide 449.7
    2-pentanol 1398.51
    n-pentane 798.62
    1-propoxy-2-propanol 1552.27
    1-methoxy-2-propyl acetate 1368.99
    2-(2-methoxypropoxy) propanol 693.18
    mesitylene 392.06
    ε-caprolactone 1978.2
    p-cymene 393.37
    epichlorohydrin 2826.25
    1,1,1-trichloroethane 3419.2
    2-aminoethanol 548.82
    morpholine-4-carbaldehyde 1090.99
    sulfolane 1350.37
    2,2,4-trimethylpentane 199.71
    2-methyltetrahydrofuran 2891.21
    n-hexyl acetate 1031.53
    isooctane 178.9
    2-(2-butoxyethoxy)ethanol 1101.31
    sec-butyl acetate 1103.2
    tert-butyl acetate 1270.79
    decalin 403.79
    glycerin 360.08
    diglyme 2247.07
    acrylic acid 608.31
    isopropyl myristate 441.39
    n-butyric acid 2015.03
    acetyl acetate 1453.77
    di(2-ethylhexyl) phthalate 288.74
    ethyl propionate 1385.83
    nitromethane 1668.07
    1,2-diethoxyethane 3163.86
    benzonitrile 986.74
    trioctyl phosphate 217.83
    1-bromopropane 3813.37
    gamma-valerolactone 1781.41
    n-decanol 327.84
    triethyl phosphate 476.42
    4-methyl-2-pentanol 627.82
    propionitrile 1751.64
    vinylene carbonate 958.81
    1,1,2-trichlorotrifluoroethane 1438.4
    DMS 743.29
    cumene 368.69
    2-octanol 316.79
    2-hexanone 1590.24
    octyl acetate 476.45
    limonene 744.55
    1,2-dimethoxyethane 2838.81
    ethyl orthosilicate 520.31
    tributyl phosphate 338.98
    diacetone alcohol 827.33
    N,N-dimethylaniline 521.82
    acrylonitrile 1378.05
    aniline 1004.38
    1,3-propanediol 872.9
    bromobenzene 1738.39
    dibromomethane 5366.66
    1,1,2,2-tetrachloroethane 4908.99
    2-methyl-cyclohexyl acetate 818.69
    tetrabutyl urea 400.75
    diisobutyl methanol 622.86
    2-phenylethanol 781.0
    styrene 936.33
    dioctyl adipate 561.62
    dimethyl sulfate 412.48
    ethyl butyrate 1869.52
    methyl lactate 363.54
    butyl lactate 484.87
    diethyl carbonate 1029.62
    propanediol butyl ether 516.25
    triethyl orthoformate 1051.13
    p-tert-butyltoluene 361.51
    methyl 4-tert-butylbenzoate 474.24
    morpholine 4648.66
    tert-butylamine 1551.14
    n-dodecanol 272.17
    dimethoxymethane 1129.92
    ethylene carbonate 1019.82
    cyrene 400.34
    2-ethoxyethyl acetate 1060.95
    2-ethylhexyl acetate 1427.54
    1,2,4-trichlorobenzene 1153.45
    4-methylpyridine 1936.06
    dibutyl ether 1723.99
    2,6-dimethyl-4-heptanol 622.86
    DEF 1439.52
    dimethyl isosorbide 999.61
    tetrachloroethylene 3135.09
    eugenol 463.04
    triacetin 773.82
    span 80 612.01
    1,4-butanediol 384.94
    1,1-dichloroethane 4295.54
    2-methyl-1-pentanol 1240.58
    methyl formate 360.29
    2-methyl-1-butanol 1445.61
    n-decane 204.09
    butyronitrile 2214.91
    3,7-dimethyl-1-octanol 578.74
    1-chlorooctane 598.59
    1-chlorotetradecane 226.49
    n-nonane 233.19
    undecane 136.16
    tert-butylcyclohexane 326.5
    cyclooctane 445.07
    cyclopentanol 981.36
    tetrahydropyran 5716.81
    tert-amyl methyl ether 1300.94
    2,5,8-trioxanonane 1348.86
    1-hexene 2564.99
    2-isopropoxyethanol 1052.87
    2,2,2-trifluoroethanol 260.0
    methyl butyrate 1838.88

    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