Benzeneethanol, alpha-butyl-

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  • Identifiers

    CAS number
    25755-72-0

    Molecular formula
    C12H18O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 68.24%
    Green 53.61%
    Herbal 50.02%
    Sweet 48.88%
    Earthy 47.51%
    Rose 43.23%
    Fruity 38.03%
    Spicy 33.95%
    Oily 31.81%
    Mushroom 31.32%

     

    Flavor
    Green 76.06%
    Sweet 65.04%
    Floral 52.54%
    Earthy 47.36%
    Fresh 38.75%
    Spicy 37.08%
    Mild 35.62%
    Herbal 34.56%
    Hyacinth 31.67%
    Rose 29.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.0 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    255°C

    Flash point

    • 123.3 ˚C est.

  • Synonyms

    • Benzeneethanol, alpha-butyl-
    • 25755-72-0
    • Benzeneethanol, .alpha.-butyl-
    • DTXSID40865251
    • RefChem:563226
    • DTXCID20813679
    • 1-phenylhexan-2-ol
    • 1-PHENYL-2-HEXANOL
    • SCHEMBL1828017
    • SCHEMBL5903351
    • SCHEMBL10497298
    • JIYIWMCPWCFVCA-UHFFFAOYSA-N
    • MFCD00046697
    • AKOS011899592
    • DB-238300
    • A1-05241
    • 25755-72-0

  • Applications

    Benzeneethanol, alpha-butyl- (CAS 25755-72-0) is a substituted phenethyl alcohol that is commonly evaluated for use as an odorant and fragrance ingredient and serves as an intermediate in fragrance chemistry. In industrial formulations it may function as a solvent or co-solvent for coatings, inks and cleaning products. In cosmetics and personal care, it is used as a fragrance component within formulations. It can also be used as a chemical intermediate in the synthesis of specialty polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3899.42
    methanol 3442.58
    isopropanol 3001.83
    water 0.17
    ethyl acetate 2316.36
    n-propanol 2742.47
    acetone 3875.89
    n-butanol 2463.22
    acetonitrile 2210.67
    DMF 2054.03
    toluene 405.09
    isobutanol 1698.31
    1,4-dioxane 3406.55
    methyl acetate 1518.36
    THF 3257.33
    2-butanone 1880.04
    n-pentanol 1430.67
    sec-butanol 1515.26
    n-hexane 371.36
    ethylene glycol 338.64
    NMP 641.33
    cyclohexane 360.45
    DMSO 3168.53
    n-butyl acetate 1790.32
    n-octanol 392.78
    chloroform 2454.86
    n-propyl acetate 1168.08
    acetic acid 1283.07
    dichloromethane 2099.67
    cyclohexanone 1824.79
    propylene glycol 556.61
    isopropyl acetate 1165.93
    DMAc 978.42
    2-ethoxyethanol 1331.87
    isopentanol 1719.67
    n-heptane 207.33
    ethyl formate 934.12
    1,2-dichloroethane 1939.99
    n-hexanol 1979.6
    2-methoxyethanol 2496.85
    isobutyl acetate 712.09
    tetrachloromethane 256.61
    n-pentyl acetate 454.75
    transcutol 3865.39
    n-heptanol 465.98
    ethylbenzene 237.68
    MIBK 903.31
    2-propoxyethanol 2244.1
    tert-butanol 2500.92
    MTBE 2151.05
    2-butoxyethanol 764.15
    propionic acid 1031.94
    o-xylene 194.67
    formic acid 220.26
    diethyl ether 3188.1
    m-xylene 262.05
    p-xylene 265.0
    chlorobenzene 582.91
    dimethyl carbonate 329.12
    n-octane 64.45
    formamide 374.06
    cyclopentanone 1678.3
    2-pentanone 1926.16
    anisole 569.95
    cyclopentyl methyl ether 1238.12
    gamma-butyrolactone 1455.49
    1-methoxy-2-propanol 1830.03
    pyridine 1457.54
    3-pentanone 1030.33
    furfural 937.89
    n-dodecane 43.66
    diethylene glycol 1143.71
    diisopropyl ether 593.41
    tert-amyl alcohol 1130.14
    acetylacetone 1320.85
    n-hexadecane 49.54
    acetophenone 413.44
    methyl propionate 1180.65
    isopentyl acetate 1233.27
    trichloroethylene 2346.16
    n-nonanol 336.22
    cyclohexanol 1021.01
    benzyl alcohol 436.98
    2-ethylhexanol 842.1
    isooctanol 357.02
    dipropyl ether 1530.08
    1,2-dichlorobenzene 421.64
    ethyl lactate 332.05
    propylene carbonate 785.38
    n-methylformamide 954.45
    2-pentanol 1337.37
    n-pentane 241.65
    1-propoxy-2-propanol 1530.42
    1-methoxy-2-propyl acetate 1041.09
    2-(2-methoxypropoxy) propanol 516.97
    mesitylene 170.58
    ε-caprolactone 1230.26
    p-cymene 163.25
    epichlorohydrin 2008.5
    1,1,1-trichloroethane 1172.59
    2-aminoethanol 857.28
    morpholine-4-carbaldehyde 1146.23
    sulfolane 1284.2
    2,2,4-trimethylpentane 74.16
    2-methyltetrahydrofuran 1863.64
    n-hexyl acetate 630.62
    isooctane 87.07
    2-(2-butoxyethoxy)ethanol 885.69
    sec-butyl acetate 628.14
    tert-butyl acetate 963.41
    decalin 115.65
    glycerin 563.8
    diglyme 1726.58
    acrylic acid 584.41
    isopropyl myristate 249.93
    n-butyric acid 2070.24
    acetyl acetate 763.05
    di(2-ethylhexyl) phthalate 188.6
    ethyl propionate 791.16
    nitromethane 1806.79
    1,2-diethoxyethane 1664.99
    benzonitrile 545.97
    trioctyl phosphate 158.73
    1-bromopropane 1300.75
    gamma-valerolactone 1854.87
    n-decanol 253.69
    triethyl phosphate 226.23
    4-methyl-2-pentanol 576.14
    propionitrile 1601.99
    vinylene carbonate 625.54
    1,1,2-trichlorotrifluoroethane 1005.32
    DMS 411.67
    cumene 159.76
    2-octanol 256.92
    2-hexanone 1264.06
    octyl acetate 297.57
    limonene 316.31
    1,2-dimethoxyethane 2631.36
    ethyl orthosilicate 244.12
    tributyl phosphate 213.86
    diacetone alcohol 861.6
    N,N-dimethylaniline 294.46
    acrylonitrile 1255.51
    aniline 576.67
    1,3-propanediol 1460.1
    bromobenzene 569.08
    dibromomethane 1470.82
    1,1,2,2-tetrachloroethane 1998.96
    2-methyl-cyclohexyl acetate 431.96
    tetrabutyl urea 261.13
    diisobutyl methanol 379.98
    2-phenylethanol 550.38
    styrene 339.54
    dioctyl adipate 310.05
    dimethyl sulfate 379.63
    ethyl butyrate 943.79
    methyl lactate 407.64
    butyl lactate 351.89
    diethyl carbonate 497.38
    propanediol butyl ether 569.41
    triethyl orthoformate 526.17
    p-tert-butyltoluene 168.74
    methyl 4-tert-butylbenzoate 305.81
    morpholine 3666.71
    tert-butylamine 1601.34
    n-dodecanol 197.9
    dimethoxymethane 1791.76
    ethylene carbonate 689.64
    cyrene 326.56
    2-ethoxyethyl acetate 633.53
    2-ethylhexyl acetate 828.07
    1,2,4-trichlorobenzene 429.57
    4-methylpyridine 1166.64
    dibutyl ether 809.46
    2,6-dimethyl-4-heptanol 379.98
    DEF 1361.87
    dimethyl isosorbide 697.81
    tetrachloroethylene 1247.05
    eugenol 334.53
    triacetin 443.39
    span 80 480.53
    1,4-butanediol 461.67
    1,1-dichloroethane 1869.2
    2-methyl-1-pentanol 891.73
    methyl formate 640.54
    2-methyl-1-butanol 1213.66
    n-decane 78.13
    butyronitrile 2016.42
    3,7-dimethyl-1-octanol 399.51
    1-chlorooctane 284.52
    1-chlorotetradecane 105.46
    n-nonane 84.69
    undecane 57.17
    tert-butylcyclohexane 121.59
    cyclooctane 95.0
    cyclopentanol 939.22
    tetrahydropyran 3347.68
    tert-amyl methyl ether 885.53
    2,5,8-trioxanonane 926.46
    1-hexene 1280.92
    2-isopropoxyethanol 873.91
    2,2,2-trifluoroethanol 207.77
    methyl butyrate 1176.28

    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