1-Phenyl-2-butanol

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  • Identifiers

    CAS number
    701-70-2

    Molecular formula
    C10H14O

    SMILES
    CCC(CC1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 86.19%
    Rose 62.61%
    Sweet 48.92%
    Honey 43.24%
    Green 36.86%
    Hyacinth 36.73%
    Balsamic 36.26%
    Earthy 35.95%
    Herbal 30.93%
    Fruity 29.5%

     

    Flavor
    Sweet 76.19%
    Green 67.6%
    Floral 63.17%
    Hyacinth 44.67%
    Earthy 42.89%
    Bitter 41.26%
    Spicy 36.21%
    Rose 34.67%
    Fresh 33.72%
    Mild 33.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.97 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    227°C

    Flash point

    • 103.41 ˚C est.

  • Synonyms

    • 1-Phenylbutan-2-ol
    • 1-Phenyl-2-butanol
    • 701-70-2
    • Benzyl ethyl carbinol
    • Benzeneethanol, .alpha.-ethyl-
    • 2-Butanol, 1-phenyl-
    • alpha-Ethylphenethyl alcohol
    • Phenethyl alcohol, .alpha.-ethyl-
    • Benzeneethanol, alpha-ethyl-
    • NSC 11004
    • EINECS 211-858-2
    • .alpha.-Ethylbenzeneethanol
    • NSC 406921
    • .alpha.-Ethylphenethyl alcohol
    • AI3-11510
    • 64NV7Q9G7L
    • DTXSID80862380
    • (+/-)-alpha-ethylphenethyl alcohol
    • NSC-11004
    • NSC-406921
    • 120055-09-6
    • 1-phenyl-butan-2-ol
    • a-Ethylphenethyl alcohol
    • alpha-Ethylbenzeneethanol
    • |A-Ethylphenethyl alcohol
    • UNII-64NV7Q9G7L
    • alpha -Ethylphenethyl alcohol
    • SCHEMBL108351
    • (+/-)-1-Phenyl-2-butanol
    • Phenethyl alcohol, alpha-ethyl-
    • DTXCID20811155
    • alpha-Ethylphenethyl alcohol, 97%
    • EBA39319
    • NSC11004
    • ZCA70908
    • NSC406921
    • AKOS009159406
    • AS-76060
    • CS-0152604
    • NS00041974
    • EN300-85451
    • D94692
    • Z513749284

  • Applications

    1-Phenyl-2-butanol (CAS 701-70-2) is a useful organic intermediate in the synthesis of fragrance compounds and aroma esters, owing to its phenyl substituent and secondary alcohol functionality. In practice, it is often used as a building block or component in perfumery and personal care formulations. It can also be employed as a solvent or reaction intermediate in industrial and household product formulations. In industrial manufacturing, it provides routes to fragrance-related esters and other intermediates used in coatings, inks, and polymeric materials. It is also evaluated as a pharmaceutical intermediate for the synthesis of drug precursors. Use and handling depend on local regulations and formulation limits in place.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2173.99
    methanol 1460.82
    isopropanol 1889.48
    water 1.13
    ethyl acetate 939.67
    n-propanol 1642.63
    acetone 1336.02
    n-butanol 1390.12
    acetonitrile 1392.76
    DMF 1007.61
    toluene 235.69
    isobutanol 1024.37
    1,4-dioxane 1790.97
    methyl acetate 840.34
    THF 1502.7
    2-butanone 864.68
    n-pentanol 824.95
    sec-butanol 1024.74
    n-hexane 166.05
    ethylene glycol 327.83
    NMP 429.04
    cyclohexane 180.49
    DMSO 1551.01
    n-butyl acetate 852.74
    n-octanol 309.74
    chloroform 1869.11
    n-propyl acetate 522.01
    acetic acid 911.87
    dichloromethane 1497.07
    cyclohexanone 938.01
    propylene glycol 548.18
    isopropyl acetate 424.46
    DMAc 526.05
    2-ethoxyethanol 730.5
    isopentanol 909.4
    n-heptane 148.1
    ethyl formate 621.45
    1,2-dichloroethane 927.53
    n-hexanol 1197.17
    2-methoxyethanol 1274.16
    isobutyl acetate 313.52
    tetrachloromethane 224.98
    n-pentyl acetate 252.56
    transcutol 1777.72
    n-heptanol 352.75
    ethylbenzene 138.49
    MIBK 377.58
    2-propoxyethanol 1147.08
    tert-butanol 1567.68
    MTBE 871.36
    2-butoxyethanol 495.93
    propionic acid 870.78
    o-xylene 132.28
    formic acid 193.0
    diethyl ether 1112.6
    m-xylene 160.23
    p-xylene 165.46
    chlorobenzene 342.42
    dimethyl carbonate 184.21
    n-octane 44.37
    formamide 301.12
    cyclopentanone 920.3
    2-pentanone 765.88
    anisole 327.47
    cyclopentyl methyl ether 573.87
    gamma-butyrolactone 925.42
    1-methoxy-2-propanol 964.87
    pyridine 851.7
    3-pentanone 454.62
    furfural 636.45
    n-dodecane 33.7
    diethylene glycol 679.46
    diisopropyl ether 231.28
    tert-amyl alcohol 798.97
    acetylacetone 518.77
    n-hexadecane 36.5
    acetophenone 249.33
    methyl propionate 570.84
    isopentyl acetate 591.18
    trichloroethylene 1394.69
    n-nonanol 245.53
    cyclohexanol 678.04
    benzyl alcohol 283.79
    2-ethylhexanol 539.31
    isooctanol 249.97
    dipropyl ether 750.63
    1,2-dichlorobenzene 256.98
    ethyl lactate 204.49
    propylene carbonate 515.02
    n-methylformamide 587.39
    2-pentanol 811.24
    n-pentane 132.53
    1-propoxy-2-propanol 817.85
    1-methoxy-2-propyl acetate 477.74
    2-(2-methoxypropoxy) propanol 333.77
    mesitylene 101.96
    ε-caprolactone 681.53
    p-cymene 113.89
    epichlorohydrin 1039.79
    1,1,1-trichloroethane 676.95
    2-aminoethanol 723.09
    morpholine-4-carbaldehyde 665.5
    sulfolane 795.4
    2,2,4-trimethylpentane 50.37
    2-methyltetrahydrofuran 1016.77
    n-hexyl acetate 358.24
    isooctane 53.65
    2-(2-butoxyethoxy)ethanol 510.48
    sec-butyl acetate 276.85
    tert-butyl acetate 365.92
    decalin 66.21
    glycerin 494.95
    diglyme 899.16
    acrylic acid 539.13
    isopropyl myristate 150.77
    n-butyric acid 1280.62
    acetyl acetate 349.44
    di(2-ethylhexyl) phthalate 130.12
    ethyl propionate 366.73
    nitromethane 1109.25
    1,2-diethoxyethane 721.45
    benzonitrile 371.19
    trioctyl phosphate 109.71
    1-bromopropane 669.21
    gamma-valerolactone 946.34
    n-decanol 188.79
    triethyl phosphate 145.01
    4-methyl-2-pentanol 339.91
    propionitrile 1036.77
    vinylene carbonate 456.54
    1,1,2-trichlorotrifluoroethane 625.11
    DMS 221.59
    cumene 104.65
    2-octanol 195.6
    2-hexanone 546.75
    octyl acetate 181.17
    limonene 204.53
    1,2-dimethoxyethane 1157.86
    ethyl orthosilicate 152.64
    tributyl phosphate 130.79
    diacetone alcohol 419.62
    N,N-dimethylaniline 195.69
    acrylonitrile 879.63
    aniline 363.71
    1,3-propanediol 913.75
    bromobenzene 332.37
    dibromomethane 1023.19
    1,1,2,2-tetrachloroethane 1123.85
    2-methyl-cyclohexyl acetate 260.89
    tetrabutyl urea 168.88
    diisobutyl methanol 239.66
    2-phenylethanol 336.39
    styrene 197.63
    dioctyl adipate 191.7
    dimethyl sulfate 225.21
    ethyl butyrate 513.94
    methyl lactate 240.8
    butyl lactate 212.76
    diethyl carbonate 288.01
    propanediol butyl ether 408.9
    triethyl orthoformate 293.21
    p-tert-butyltoluene 114.16
    methyl 4-tert-butylbenzoate 220.37
    morpholine 1899.12
    tert-butylamine 1011.97
    n-dodecanol 149.77
    dimethoxymethane 707.53
    ethylene carbonate 454.07
    cyrene 231.51
    2-ethoxyethyl acetate 321.29
    2-ethylhexyl acetate 414.25
    1,2,4-trichlorobenzene 268.68
    4-methylpyridine 651.75
    dibutyl ether 400.82
    2,6-dimethyl-4-heptanol 239.66
    DEF 642.88
    dimethyl isosorbide 425.61
    tetrachloroethylene 707.26
    eugenol 228.94
    triacetin 273.0
    span 80 324.0
    1,4-butanediol 339.87
    1,1-dichloroethane 1057.18
    2-methyl-1-pentanol 501.65
    methyl formate 435.8
    2-methyl-1-butanol 724.86
    n-decane 56.33
    butyronitrile 1156.41
    3,7-dimethyl-1-octanol 273.69
    1-chlorooctane 187.25
    1-chlorotetradecane 73.26
    n-nonane 59.93
    undecane 42.32
    tert-butylcyclohexane 68.19
    cyclooctane 54.31
    cyclopentanol 682.12
    tetrahydropyran 1594.49
    tert-amyl methyl ether 418.46
    2,5,8-trioxanonane 560.73
    1-hexene 588.65
    2-isopropoxyethanol 471.2
    2,2,2-trifluoroethanol 184.73
    methyl butyrate 571.9

    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