4-Phenyl-2-butanol

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  • Identifiers

    CAS number
    2344-70-9

    Molecular formula
    C10H14O

    SMILES
    CC(CCC1=CC=CC=C1)O

  • Odor profile

    Floral 87.92%
    Sweet 74.69%
    Fruity 66.13%
    Rose 54.14%
    Herbal 44.87%
    Balsamic 44.22%
    Green 43.85%
    Hyacinth 37.54%
    Fresh 37.38%
    Honey 36.0%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 123.00 to 124.00 °C. @ 15.00 mm Hg

    Flash point est.
    109.38 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Phenyl-2-butanol
    • 4-Phenylbutan-2-ol
    • 2344-70-9
    • BENZENEPROPANOL, ALPHA-METHYL-
    • 1-Phenyl-3-butanol
    • Methylphenethylcarbinol
    • Methyl phenethyl carbinol
    • 2-Butanol, 4-phenyl-
    • 2-Hydroxy-4-phenylbutane
    • FEMA No. 2879
    • SZ2IE5UDQR
    • UNII-SZ2IE5UDQR
    • Benzenepropanol, .alpha.-methyl-
    • alpha-Methylbenzenepropanol
    • Methyl-2-phenylethylcarbinol
    • .alpha.-Methylbenzenepropanol
    • EINECS 219-055-9
    • MFCD00044349
    • NSC-69076
    • a-Methylbenzenepropanol, 9CI
    • AI3-05781
    • FEMA 2879
    • DTXSID60862904
    • 4-PHENYL-2-BUTANOL [FHFI]
    • NSC 69076
    • 1-METHYL-3-PHENYL-1-PROPANOL
    • (+/-)-4-PHENYLBUTAN-2-OL
    • (+/-)-3-PHENYL-1-METHYLPROPANOL
    • 4-Phenyl-2-butanol, 97%
    • Phenylethyl methyl carbinol
    • Methyl 2-phenylethyl carbinol
    • 4-phenyl-butan-2-ol
    • a-Methyl-benzenepropanol
    • alpha-Methyl-benzenepropanol
    • racemic 4-phenyl-2-butanol
    • NCIOpen2_000529
    • SCHEMBL109557
    • DTXCID70218478
    • CHEBI:195902
    • NSC69076
    • AKOS000249691
    • AKOS016845668
    • FP45818
    • AS-31091
    • SY052218
    • DB-046150
    • DB-069828
    • CS-0154052
    • NS00049424
    • P0876
    • EN300-1263451
    • Q27289473
    • Phenylethyl methyl carbinol; (+/-)-4-Phenyl-2-butanol; 4-Phenylbutan-2-ol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2368.36
    methanol 1863.48
    isopropanol 1682.66
    water 1.88
    ethyl acetate 1298.84
    n-propanol 1766.32
    acetone 1647.05
    n-butanol 1432.25
    acetonitrile 1253.65
    DMF 974.95
    toluene 233.11
    isobutanol 961.37
    1,4-dioxane 1889.75
    methyl acetate 1109.94
    THF 1485.18
    2-butanone 1128.72
    n-pentanol 834.96
    sec-butanol 1031.0
    n-hexane 120.11
    ethylene glycol 497.4
    NMP 389.56
    cyclohexane 110.77
    DMSO 1543.07
    n-butyl acetate 747.77
    n-octanol 248.48
    chloroform 1321.9
    n-propyl acetate 578.06
    acetic acid 991.61
    dichloromethane 1037.15
    cyclohexanone 835.64
    propylene glycol 831.75
    isopropyl acetate 528.0
    DMAc 631.81
    2-ethoxyethanol 1007.61
    isopentanol 905.54
    n-heptane 98.1
    ethyl formate 602.75
    1,2-dichloroethane 738.87
    n-hexanol 1074.57
    2-methoxyethanol 1728.59
    isobutyl acetate 325.59
    tetrachloromethane 187.49
    n-pentyl acetate 216.52
    transcutol 2349.24
    n-heptanol 287.73
    ethylbenzene 124.33
    MIBK 417.56
    2-propoxyethanol 1317.37
    tert-butanol 1483.11
    MTBE 920.64
    2-butoxyethanol 490.53
    propionic acid 1027.59
    o-xylene 132.02
    formic acid 269.78
    diethyl ether 1184.52
    m-xylene 160.57
    p-xylene 139.83
    chlorobenzene 289.35
    dimethyl carbonate 213.97
    n-octane 27.16
    formamide 405.87
    cyclopentanone 929.59
    2-pentanone 918.44
    anisole 343.83
    cyclopentyl methyl ether 647.53
    gamma-butyrolactone 962.34
    1-methoxy-2-propanol 1197.09
    pyridine 850.17
    3-pentanone 589.29
    furfural 624.58
    n-dodecane 19.22
    diethylene glycol 845.81
    diisopropyl ether 237.87
    tert-amyl alcohol 836.31
    acetylacetone 638.76
    n-hexadecane 21.29
    acetophenone 237.62
    methyl propionate 751.96
    isopentyl acetate 507.61
    trichloroethylene 1179.83
    n-nonanol 199.85
    cyclohexanol 607.85
    benzyl alcohol 302.62
    2-ethylhexanol 464.36
    isooctanol 198.85
    dipropyl ether 720.69
    1,2-dichlorobenzene 206.23
    ethyl lactate 222.3
    propylene carbonate 485.22
    n-methylformamide 723.95
    2-pentanol 781.72
    n-pentane 90.22
    1-propoxy-2-propanol 828.82
    1-methoxy-2-propyl acetate 531.38
    2-(2-methoxypropoxy) propanol 328.0
    mesitylene 91.56
    ε-caprolactone 654.15
    p-cymene 88.56
    epichlorohydrin 1129.84
    1,1,1-trichloroethane 591.19
    2-aminoethanol 1064.88
    morpholine-4-carbaldehyde 750.19
    sulfolane 741.16
    2,2,4-trimethylpentane 40.44
    2-methyltetrahydrofuran 1047.69
    n-hexyl acetate 322.63
    isooctane 39.47
    2-(2-butoxyethoxy)ethanol 535.67
    sec-butyl acetate 298.75
    tert-butyl acetate 428.63
    decalin 49.33
    glycerin 705.8
    diglyme 963.86
    acrylic acid 662.76
    isopropyl myristate 118.06
    n-butyric acid 1276.94
    acetyl acetate 435.55
    di(2-ethylhexyl) phthalate 112.42
    ethyl propionate 444.86
    nitromethane 1199.11
    1,2-diethoxyethane 803.63
    benzonitrile 307.24
    trioctyl phosphate 88.35
    1-bromopropane 500.12
    gamma-valerolactone 1027.95
    n-decanol 149.19
    triethyl phosphate 133.73
    4-methyl-2-pentanol 342.35
    propionitrile 1008.19
    vinylene carbonate 408.06
    1,1,2-trichlorotrifluoroethane 712.52
    DMS 228.6
    cumene 86.52
    2-octanol 149.52
    2-hexanone 566.96
    octyl acetate 149.52
    limonene 160.37
    1,2-dimethoxyethane 1280.87
    ethyl orthosilicate 143.21
    tributyl phosphate 115.04
    diacetone alcohol 512.52
    N,N-dimethylaniline 178.37
    acrylonitrile 865.5
    aniline 411.51
    1,3-propanediol 1145.59
    bromobenzene 260.98
    dibromomethane 674.3
    1,1,2,2-tetrachloroethane 928.66
    2-methyl-cyclohexyl acetate 228.57
    tetrabutyl urea 141.01
    diisobutyl methanol 205.24
    2-phenylethanol 324.31
    styrene 173.7
    dioctyl adipate 161.6
    dimethyl sulfate 264.07
    ethyl butyrate 452.04
    methyl lactate 307.25
    butyl lactate 197.03
    diethyl carbonate 252.56
    propanediol butyl ether 405.62
    triethyl orthoformate 260.34
    p-tert-butyltoluene 90.07
    methyl 4-tert-butylbenzoate 192.78
    morpholine 2116.09
    tert-butylamine 873.53
    n-dodecanol 115.54
    dimethoxymethane 856.69
    ethylene carbonate 415.36
    cyrene 226.92
    2-ethoxyethyl acetate 331.19
    2-ethylhexyl acetate 355.32
    1,2,4-trichlorobenzene 242.47
    4-methylpyridine 621.09
    dibutyl ether 340.58
    2,6-dimethyl-4-heptanol 205.24
    DEF 733.41
    dimethyl isosorbide 408.93
    tetrachloroethylene 646.34
    eugenol 209.8
    triacetin 274.86
    span 80 313.4
    1,4-butanediol 441.71
    1,1-dichloroethane 832.66
    2-methyl-1-pentanol 515.76
    methyl formate 489.6
    2-methyl-1-butanol 758.76
    n-decane 35.46
    butyronitrile 996.34
    3,7-dimethyl-1-octanol 226.06
    1-chlorooctane 130.36
    1-chlorotetradecane 47.24
    n-nonane 36.79
    undecane 24.75
    tert-butylcyclohexane 54.31
    cyclooctane 36.82
    cyclopentanol 615.03
    tetrahydropyran 1504.59
    tert-amyl methyl ether 496.15
    2,5,8-trioxanonane 561.0
    1-hexene 486.39
    2-isopropoxyethanol 604.42
    2,2,2-trifluoroethanol 207.88
    methyl butyrate 601.56

    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