4-Phenyl-1-butanol

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  • Identifiers

    CAS number
    3360-41-6

    Molecular formula
    C10H14O

    SMILES
    C1=CC=C(C=C1)CCCCO

  • Odor profile

    Fragrance
    Floral 87.66%
    Rose 80.0%
    Sweet 71.32%
    Balsamic 53.94%
    Honey 51.45%
    Herbal 47.05%
    Hyacinth 40.98%
    Spicy 38.43%
    Fresh 37.86%
    Green 36.76%

     

    Flavor
    Sweet 68.46%
    Green 61.42%
    Rose 59.92%
    Hyacinth 56.74%
    Balsam 55.71%
    Floral 54.86%
    Honey 48.92%
    Spicy 45.42%
    Bitter 39.65%
    Cinnamon 37.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.78 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    252°C

    Flash point

    • 126.68 ˚C est.

  • Synonyms

    • 4-Phenyl-1-butanol
    • 4-Phenylbutan-1-ol
    • 3360-41-6
    • Benzenebutanol
    • 4-Phenylbutanol
    • Phenylbutyl alcohol
    • 4-Phenylbutyl Alcohol
    • 1-Butanol, 4-phenyl-
    • 4-phenyl-butan-1-ol
    • MFCD00002971
    • 4-Phenyl-n-butanol
    • Q5ORZ1321G
    • 1-Butanol, 4-phenyl- (8CI)
    • NSC-71383
    • 4-Phenyl butanol-1
    • 55053-52-6
    • phenbutanol
    • UNII-Q5ORZ1321G
    • EINECS 222-128-8
    • NSC 71383
    • 1-phenyl-4-butanol
    • 1-Butanol, phenyl-
    • 4-phenyl butan-1-ol
    • AI3-11560
    • SCHEMBL2205
    • NCIOpen2_000492
    • 4-Phenyl-1-butanol, 99%
    • DTXSID3062994
    • LDZLXQFDGRCELX-UHFFFAOYSA-
    • 4-(4-Hydroxybutyl)phenyl acetate
    • 4-PHENYL-1-BUTYL ALCOHOL
    • BCP16469
    • NSC71383
    • BBL104162
    • STL557976
    • AKOS005254925
    • CS-W018137
    • -Butanol, 4-phenyl-;Phenylbutyl alcohol
    • AC-23988
    • AS-17613
    • SY015871
    • DB-023073
    • NS00022065
    • P1275
    • A25192
    • EN300-139389
    • Q27287033
    • InChI=1/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

  • Applications

    4-Phenyl-1-butanol is primarily used as an intermediate and building block in fragrance chemistry, where it is converted into aroma esters and related aroma compounds. It also serves as a solvent or reaction intermediate in industrial organic synthesis, including the preparation of 4-phenylbutyl esters that function as fragrance ingredients or cosmetic additives. In coatings and inks, it can be used as a specialty solvent or precursor to resin modifiers, while in polymer and plastics applications it provides a route to phenyl-substituted ester derivatives that can influence material properties. It is typically employed under formulation constraints and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10187.62
    methanol 11981.38
    isopropanol 7395.12
    water 1.59
    ethyl acetate 9031.12
    n-propanol 8148.82
    acetone 9493.39
    n-butanol 5970.55
    acetonitrile 7244.08
    DMF 5169.83
    toluene 922.29
    isobutanol 4903.52
    1,4-dioxane 7172.98
    methyl acetate 5461.65
    THF 6181.24
    2-butanone 5328.77
    n-pentanol 3102.76
    sec-butanol 4348.34
    n-hexane 258.28
    ethylene glycol 1640.26
    NMP 1957.06
    cyclohexane 329.27
    DMSO 11039.95
    n-butyl acetate 3006.58
    n-octanol 498.34
    chloroform 3935.34
    n-propyl acetate 3172.28
    acetic acid 5323.96
    dichloromethane 4543.28
    cyclohexanone 4357.24
    propylene glycol 2124.68
    isopropyl acetate 2893.44
    DMAc 1950.04
    2-ethoxyethanol 4083.55
    isopentanol 3865.91
    n-heptane 172.75
    ethyl formate 3378.2
    1,2-dichloroethane 4407.47
    n-hexanol 2486.83
    2-methoxyethanol 8780.35
    isobutyl acetate 1199.62
    tetrachloromethane 629.33
    n-pentyl acetate 807.32
    transcutol 8664.66
    n-heptanol 642.08
    ethylbenzene 333.11
    MIBK 1763.51
    2-propoxyethanol 3707.98
    tert-butanol 6024.4
    MTBE 3796.24
    2-butoxyethanol 1280.89
    propionic acid 5107.01
    o-xylene 386.76
    formic acid 1482.13
    diethyl ether 6331.1
    m-xylene 486.48
    p-xylene 357.54
    chlorobenzene 1143.97
    dimethyl carbonate 1091.29
    n-octane 42.69
    formamide 3569.85
    cyclopentanone 4700.39
    2-pentanone 5176.17
    anisole 1066.32
    cyclopentyl methyl ether 3301.0
    gamma-butyrolactone 5531.86
    1-methoxy-2-propanol 4971.42
    pyridine 3895.44
    3-pentanone 2882.17
    furfural 2680.8
    n-dodecane 26.81
    diethylene glycol 2212.98
    diisopropyl ether 1033.34
    tert-amyl alcohol 3188.14
    acetylacetone 3303.89
    n-hexadecane 30.82
    acetophenone 725.52
    methyl propionate 4862.49
    isopentyl acetate 1754.9
    trichloroethylene 5820.87
    n-nonanol 402.78
    cyclohexanol 2757.11
    benzyl alcohol 895.77
    2-ethylhexanol 1061.72
    isooctanol 470.87
    dipropyl ether 2371.16
    1,2-dichlorobenzene 751.72
    ethyl lactate 666.31
    propylene carbonate 2118.47
    n-methylformamide 5692.57
    2-pentanol 3456.79
    n-pentane 224.9
    1-propoxy-2-propanol 2533.69
    1-methoxy-2-propyl acetate 1927.21
    2-(2-methoxypropoxy) propanol 647.92
    mesitylene 262.28
    ε-caprolactone 3321.3
    p-cymene 189.47
    epichlorohydrin 6196.39
    1,1,1-trichloroethane 2472.86
    2-aminoethanol 4206.44
    morpholine-4-carbaldehyde 2820.16
    sulfolane 4245.31
    2,2,4-trimethylpentane 96.97
    2-methyltetrahydrofuran 4874.12
    n-hexyl acetate 996.52
    isooctane 90.74
    2-(2-butoxyethoxy)ethanol 1305.53
    sec-butyl acetate 1347.17
    tert-butyl acetate 1978.34
    decalin 113.65
    glycerin 1735.79
    diglyme 2970.25
    acrylic acid 2857.04
    isopropyl myristate 263.05
    n-butyric acid 6693.48
    acetyl acetate 2037.76
    di(2-ethylhexyl) phthalate 195.37
    ethyl propionate 2275.91
    nitromethane 9393.43
    1,2-diethoxyethane 3390.33
    benzonitrile 1008.44
    trioctyl phosphate 174.69
    1-bromopropane 1983.74
    gamma-valerolactone 5200.77
    n-decanol 279.1
    triethyl phosphate 345.8
    4-methyl-2-pentanol 1092.3
    propionitrile 4461.03
    vinylene carbonate 1649.26
    1,1,2-trichlorotrifluoroethane 2912.24
    DMS 709.59
    cumene 195.43
    2-octanol 321.0
    2-hexanone 2383.08
    octyl acetate 336.67
    limonene 395.14
    1,2-dimethoxyethane 5354.1
    ethyl orthosilicate 380.88
    tributyl phosphate 253.82
    diacetone alcohol 1857.24
    N,N-dimethylaniline 427.45
    acrylonitrile 4464.43
    aniline 1781.79
    1,3-propanediol 5047.91
    bromobenzene 1042.19
    dibromomethane 2725.59
    1,1,2,2-tetrachloroethane 4144.54
    2-methyl-cyclohexyl acetate 621.9
    tetrabutyl urea 302.99
    diisobutyl methanol 499.41
    2-phenylethanol 809.97
    styrene 546.93
    dioctyl adipate 361.71
    dimethyl sulfate 1146.17
    ethyl butyrate 1918.9
    methyl lactate 1113.01
    butyl lactate 600.35
    diethyl carbonate 885.78
    propanediol butyl ether 955.52
    triethyl orthoformate 881.37
    p-tert-butyltoluene 179.63
    methyl 4-tert-butylbenzoate 402.94
    morpholine 8934.25
    tert-butylamine 3393.88
    n-dodecanol 199.54
    dimethoxymethane 4719.83
    ethylene carbonate 1837.61
    cyrene 459.45
    2-ethoxyethyl acetate 1291.46
    2-ethylhexyl acetate 1152.47
    1,2,4-trichlorobenzene 843.77
    4-methylpyridine 2731.98
    dibutyl ether 1145.48
    2,6-dimethyl-4-heptanol 499.41
    DEF 4447.29
    dimethyl isosorbide 971.52
    tetrachloroethylene 3200.7
    eugenol 440.51
    triacetin 672.28
    span 80 591.99
    1,4-butanediol 1389.91
    1,1-dichloroethane 3515.45
    2-methyl-1-pentanol 1714.85
    methyl formate 3497.43
    2-methyl-1-butanol 3468.07
    n-decane 53.47
    butyronitrile 4420.74
    3,7-dimethyl-1-octanol 511.24
    1-chlorooctane 287.78
    1-chlorotetradecane 84.12
    n-nonane 56.56
    undecane 36.08
    tert-butylcyclohexane 111.26
    cyclooctane 97.4
    cyclopentanol 2859.24
    tetrahydropyran 7016.87
    tert-amyl methyl ether 1871.56
    2,5,8-trioxanonane 1295.03
    1-hexene 1298.67
    2-isopropoxyethanol 2077.65
    2,2,2-trifluoroethanol 1011.09
    methyl butyrate 3307.92

    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