1-Phenyl-1-butanol

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  • Identifiers

    CAS number
    614-14-2

    Molecular formula
    C10H14O

    SMILES
    CCCC(C1=CC=CC=C1)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 75.3%
    Floral 67.49%
    Fruity 54.87%
    Balsamic 46.94%
    Herbal 43.06%
    Almond 39.83%
    Rose 39.54%
    Cherry 36.63%
    Green 35.97%
    Earthy 34.95%

     

    Flavor
    Sweet 85.49%
    Floral 57.37%
    Balsam 52.72%
    Spicy 40.25%
    Hyacinth 39.51%
    Fresh 34.66%
    Green 34.23%
    Rose 33.37%
    Honey 31.93%
    Mild 30.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.64 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 102.24 ˚C est.

  • Synonyms

    • 1-Phenyl-1-butanol
    • 614-14-2
    • alpha-Propylbenzyl Alcohol
    • MFCD00066173
    • 1-phenylbutanol
    • 1-Phenylbutanol, (+/-)-
    • Benzenemethanol, .alpha.-propyl-
    • (+/-)-1-phenylbutanol
    • NSC-4887
    • NSC-406592
    • 6E05182617
    • 1-Phenyl-butan-1-ol
    • 1-Butanol, 1-phenyl
    • (1S)-1-phenyl-1-butanol
    • NSC 406592; NSC 4887; ?-Propylbenzenemethanol; ?-Propylbenzyl Alcohol;
    • NSC4887
    • EINECS 210-368-6
    • UNII-6E05182617
    • 1-phenyl- 1 -butanol
    • AI3-04237
    • 1-Phenyl-1-butanol #
    • .alpha.-Propylbenzyl alcohol
    • alpha-n-Propyl benzyl alcohol
    • SCHEMBL158756
    • SCHEMBL317303
    • SCHEMBL348229
    • SCHEMBL432757
    • Benzenemethanol, aplha-propyl-
    • SCHEMBL1403700
    • SCHEMBL3591601
    • 1-BUTANOL, 1-PHENYL-
    • SCHEMBL10488013
    • SCHEMBL27310163
    • DTXSID901316124
    • AAA61414
    • NSC 4887
    • .ALPHA.-PROPYLBENZENEMETHANOL
    • NSC406592
    • AKOS000249265
    • AKOS022257891
    • (+/-)-1-PHENYL-1-BUTANOL
    • NSC 406592
    • BENZYL ALCOHOL, .ALPHA.-PROPYL-
    • AS-57035
    • SY053466
    • DB-053872
    • (+/-)-.ALPHA.-PROPYLBENZENEMETHANOL
    • (+/-)-.ALPHA.-PROPYLBENZYL ALCOHOL
    • CS-0152453
    • NS00042519
    • P1682
    • EN300-60654
    • D81704
    • F355875
    • Q9545673
    • Z335244704
    • 614-14-2

  • Applications

    1-Phenyl-1-butanol (CAS 614-14-2) is used primarily as a synthetic intermediate in fragrance chemistry, serving as a building block to prepare aroma esters and other fragrance ingredients; it can be used in cosmetics and personal care formulations as a fragrance precursor or component; in industrial manufacturing it functions as a reactive intermediate for the synthesis of higher-value chemicals and specialty esters; it may also be evaluated for use in coatings, inks, and adhesives as a fragrance additive or building block for aromatic compounds; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3457.16
    methanol 2781.02
    isopropanol 3202.06
    water 0.72
    ethyl acetate 1596.96
    n-propanol 2721.57
    acetone 2617.61
    n-butanol 2179.06
    acetonitrile 3469.18
    DMF 2138.54
    toluene 430.81
    isobutanol 1824.59
    1,4-dioxane 3043.96
    methyl acetate 1510.84
    THF 2889.59
    2-butanone 1639.82
    n-pentanol 1330.4
    sec-butanol 1675.41
    n-hexane 393.32
    ethylene glycol 283.7
    NMP 1022.06
    cyclohexane 487.87
    DMSO 2500.22
    n-butyl acetate 1884.57
    n-octanol 626.93
    chloroform 3763.45
    n-propyl acetate 1159.05
    acetic acid 1526.85
    dichloromethane 3435.72
    cyclohexanone 2041.77
    propylene glycol 422.35
    isopropyl acetate 798.66
    DMAc 871.67
    2-ethoxyethanol 976.36
    isopentanol 1433.16
    n-heptane 301.06
    ethyl formate 1276.75
    1,2-dichloroethane 2281.32
    n-hexanol 1871.26
    2-methoxyethanol 1751.37
    isobutyl acetate 665.98
    tetrachloromethane 476.65
    n-pentyl acetate 586.47
    transcutol 2670.17
    n-heptanol 657.07
    ethylbenzene 269.9
    MIBK 655.6
    2-propoxyethanol 1579.05
    tert-butanol 2444.83
    MTBE 1675.54
    2-butoxyethanol 796.39
    propionic acid 1306.92
    o-xylene 218.44
    formic acid 254.46
    diethyl ether 2198.07
    m-xylene 253.36
    p-xylene 321.87
    chlorobenzene 827.15
    dimethyl carbonate 332.78
    n-octane 109.24
    formamide 495.09
    cyclopentanone 1874.1
    2-pentanone 1363.31
    anisole 580.35
    cyclopentyl methyl ether 1089.8
    gamma-butyrolactone 1980.81
    1-methoxy-2-propanol 1204.03
    pyridine 1824.61
    3-pentanone 799.21
    furfural 1226.75
    n-dodecane 78.86
    diethylene glycol 768.54
    diisopropyl ether 470.97
    tert-amyl alcohol 1241.52
    acetylacetone 898.3
    n-hexadecane 88.82
    acetophenone 466.37
    methyl propionate 971.92
    isopentyl acetate 1230.34
    trichloroethylene 3136.21
    n-nonanol 498.0
    cyclohexanol 1181.64
    benzyl alcohol 446.51
    2-ethylhexanol 899.87
    isooctanol 500.52
    dipropyl ether 1351.05
    1,2-dichlorobenzene 600.59
    ethyl lactate 319.25
    propylene carbonate 1092.34
    n-methylformamide 1300.98
    2-pentanol 1263.83
    n-pentane 330.5
    1-propoxy-2-propanol 1273.25
    1-methoxy-2-propyl acetate 780.23
    2-(2-methoxypropoxy) propanol 470.9
    mesitylene 181.64
    ε-caprolactone 1465.07
    p-cymene 205.96
    epichlorohydrin 2170.66
    1,1,1-trichloroethane 1578.83
    2-aminoethanol 701.71
    morpholine-4-carbaldehyde 1134.61
    sulfolane 1637.22
    2,2,4-trimethylpentane 101.36
    2-methyltetrahydrofuran 2070.89
    n-hexyl acetate 806.07
    isooctane 111.11
    2-(2-butoxyethoxy)ethanol 767.45
    sec-butyl acetate 570.93
    tert-butyl acetate 680.28
    decalin 144.92
    glycerin 426.65
    diglyme 1432.53
    acrylic acid 807.7
    isopropyl myristate 302.26
    n-butyric acid 2094.79
    acetyl acetate 577.21
    di(2-ethylhexyl) phthalate 205.22
    ethyl propionate 689.92
    nitromethane 2167.79
    1,2-diethoxyethane 1357.03
    benzonitrile 818.21
    trioctyl phosphate 198.34
    1-bromopropane 1624.19
    gamma-valerolactone 1822.41
    n-decanol 366.21
    triethyl phosphate 236.0
    4-methyl-2-pentanol 507.53
    propionitrile 2225.49
    vinylene carbonate 914.94
    1,1,2-trichlorotrifluoroethane 981.44
    DMS 385.55
    cumene 189.34
    2-octanol 412.36
    2-hexanone 1183.8
    octyl acetate 371.02
    limonene 369.1
    1,2-dimethoxyethane 2009.17
    ethyl orthosilicate 246.63
    tributyl phosphate 241.38
    diacetone alcohol 653.55
    N,N-dimethylaniline 327.39
    acrylonitrile 1879.87
    aniline 649.0
    1,3-propanediol 1123.21
    bromobenzene 838.46
    dibromomethane 2505.86
    1,1,2,2-tetrachloroethane 2307.93
    2-methyl-cyclohexyl acetate 459.44
    tetrabutyl urea 311.56
    diisobutyl methanol 404.49
    2-phenylethanol 547.51
    styrene 414.1
    dioctyl adipate 349.55
    dimethyl sulfate 388.74
    ethyl butyrate 1018.2
    methyl lactate 335.3
    butyl lactate 397.55
    diethyl carbonate 544.98
    propanediol butyl ether 624.46
    triethyl orthoformate 537.57
    p-tert-butyltoluene 197.67
    methyl 4-tert-butylbenzoate 358.34
    morpholine 3214.14
    tert-butylamine 1741.92
    n-dodecanol 283.03
    dimethoxymethane 1229.8
    ethylene carbonate 929.17
    cyrene 342.43
    2-ethoxyethyl acetate 613.56
    2-ethylhexyl acetate 834.28
    1,2,4-trichlorobenzene 581.8
    4-methylpyridine 1446.38
    dibutyl ether 928.25
    2,6-dimethyl-4-heptanol 404.49
    DEF 1216.05
    dimethyl isosorbide 663.76
    tetrachloroethylene 1492.36
    eugenol 370.12
    triacetin 445.79
    span 80 467.83
    1,4-butanediol 406.58
    1,1-dichloroethane 2601.07
    2-methyl-1-pentanol 838.34
    methyl formate 920.05
    2-methyl-1-butanol 1227.52
    n-decane 137.95
    butyronitrile 2665.86
    3,7-dimethyl-1-octanol 508.84
    1-chlorooctane 436.19
    1-chlorotetradecane 166.59
    n-nonane 151.97
    undecane 102.98
    tert-butylcyclohexane 146.82
    cyclooctane 126.79
    cyclopentanol 1195.7
    tetrahydropyran 3274.47
    tert-amyl methyl ether 752.9
    2,5,8-trioxanonane 824.42
    1-hexene 1216.73
    2-isopropoxyethanol 676.39
    2,2,2-trifluoroethanol 299.35
    methyl butyrate 1200.65

    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