3-Benzyl-3-pentanol

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  • Identifiers

    CAS number
    34577-40-7

    Molecular formula
    C12H18O

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

  • Odor profile

    Fragrance
    Floral 84.72%
    Sweet 58.25%
    Rose 53.03%
    Fruity 47.04%
    Lily 34.79%
    Balsamic 34.6%
    Fresh 34.22%
    Green 33.6%
    Woody 32.66%
    Honey 32.43%

     

    Flavor
    Green 71.52%
    Floral 70.06%
    Sweet 50.51%
    Earthy 39.26%
    Rose 37.41%
    Fruity 31.39%
    Tropical 30.8%
    Mild 30.77%
    Woody 29.92%
    Fresh 29.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.2 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 109.82 ˚C est.

  • Synonyms

    • 3-benzyl-3-pentanol
    • 3-benzylpentan-3-ol
    • 34577-40-7
    • alpha,alpha-Diethylphenethyl alcohol
    • Benzeneethanol, .alpha.,.alpha.-diethyl-
    • Benzeneethanol, alpha,alpha-diethyl-
    • 327U45PG6Q
    • EINECS 252-098-1
    • DTXSID9067857
    • .ALPHA.,.ALPHA.-DIETHYLBENZENEETHANOL
    • Diaethylbenzylcarbinol
    • UNII-327U45PG6Q
    • SCHEMBL1825667
    • DTXCID6038877
    • VXSLZYONEMVQRB-UHFFFAOYSA-N
    • ALPHA,ALPHA-DIETHYLBENZENEETHANOL
    • NS00029688
    • 252-098-1

  • Applications

    3-Benzyl-3-pentanol (CAS 34577-40-7) finds use as a synthetic intermediate in organic synthesis and as a potential aroma chemical in fragrance chemistry. It may serve as a fragrance ingredient or perfume intermediate for cosmetics/personal care formulations, subject to local regulations and formulation limits. Additionally, it can function as a building block for the preparation of related specialty chemicals in industrial manufacturing, and may appear as a fragrance additive in household products such as cleaners and detergents under applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1076.21
    methanol 803.62
    isopropanol 988.23
    water 0.57
    ethyl acetate 897.97
    n-propanol 926.82
    acetone 818.56
    n-butanol 886.82
    acetonitrile 835.64
    DMF 730.41
    toluene 348.48
    isobutanol 668.99
    1,4-dioxane 1840.87
    methyl acetate 821.6
    THF 1633.43
    2-butanone 866.33
    n-pentanol 604.32
    sec-butanol 749.87
    n-hexane 350.46
    ethylene glycol 100.97
    NMP 393.12
    cyclohexane 348.88
    DMSO 625.27
    n-butyl acetate 1008.85
    n-octanol 359.26
    chloroform 2062.25
    n-propyl acetate 540.05
    acetic acid 374.0
    dichloromethane 1545.41
    cyclohexanone 923.92
    propylene glycol 227.85
    isopropyl acetate 530.39
    DMAc 619.7
    2-ethoxyethanol 537.51
    isopentanol 694.0
    n-heptane 259.09
    ethyl formate 519.83
    1,2-dichloroethane 917.82
    n-hexanol 1041.79
    2-methoxyethanol 782.2
    isobutyl acetate 407.7
    tetrachloromethane 319.37
    n-pentyl acetate 376.27
    transcutol 1569.54
    n-heptanol 375.58
    ethylbenzene 239.35
    MIBK 422.33
    2-propoxyethanol 957.63
    tert-butanol 1160.07
    MTBE 1173.99
    2-butoxyethanol 503.98
    propionic acid 479.76
    o-xylene 217.71
    formic acid 81.44
    diethyl ether 1219.74
    m-xylene 225.14
    p-xylene 295.14
    chlorobenzene 417.81
    dimethyl carbonate 191.28
    n-octane 92.93
    formamide 142.89
    cyclopentanone 833.78
    2-pentanone 710.38
    anisole 431.97
    cyclopentyl methyl ether 629.81
    gamma-butyrolactone 858.16
    1-methoxy-2-propanol 640.28
    pyridine 827.91
    3-pentanone 509.68
    furfural 615.72
    n-dodecane 64.54
    diethylene glycol 443.82
    diisopropyl ether 341.96
    tert-amyl alcohol 767.85
    acetylacetone 521.81
    n-hexadecane 72.35
    acetophenone 320.75
    methyl propionate 528.33
    isopentyl acetate 752.01
    trichloroethylene 1328.54
    n-nonanol 309.4
    cyclohexanol 556.12
    benzyl alcohol 290.52
    2-ethylhexanol 594.27
    isooctanol 290.18
    dipropyl ether 937.31
    1,2-dichlorobenzene 349.16
    ethyl lactate 190.71
    propylene carbonate 543.88
    n-methylformamide 321.49
    2-pentanol 596.11
    n-pentane 222.21
    1-propoxy-2-propanol 730.49
    1-methoxy-2-propyl acetate 552.03
    2-(2-methoxypropoxy) propanol 362.52
    mesitylene 157.35
    ε-caprolactone 720.36
    p-cymene 181.4
    epichlorohydrin 969.75
    1,1,1-trichloroethane 869.59
    2-aminoethanol 277.36
    morpholine-4-carbaldehyde 647.81
    sulfolane 653.81
    2,2,4-trimethylpentane 83.47
    2-methyltetrahydrofuran 1082.21
    n-hexyl acetate 531.56
    isooctane 77.68
    2-(2-butoxyethoxy)ethanol 564.71
    sec-butyl acetate 369.48
    tert-butyl acetate 511.78
    decalin 134.27
    glycerin 222.7
    diglyme 990.12
    acrylic acid 285.73
    isopropyl myristate 235.01
    n-butyric acid 783.72
    acetyl acetate 395.01
    di(2-ethylhexyl) phthalate 176.29
    ethyl propionate 425.81
    nitromethane 583.89
    1,2-diethoxyethane 882.03
    benzonitrile 411.04
    trioctyl phosphate 147.83
    1-bromopropane 843.5
    gamma-valerolactone 922.51
    n-decanol 236.68
    triethyl phosphate 194.86
    4-methyl-2-pentanol 331.79
    propionitrile 868.66
    vinylene carbonate 477.33
    1,1,2-trichlorotrifluoroethane 500.39
    DMS 304.08
    cumene 178.18
    2-octanol 249.61
    2-hexanone 572.77
    octyl acetate 267.71
    limonene 294.32
    1,2-dimethoxyethane 1139.64
    ethyl orthosilicate 211.95
    tributyl phosphate 186.49
    diacetone alcohol 427.76
    N,N-dimethylaniline 272.4
    acrylonitrile 628.39
    aniline 367.91
    1,3-propanediol 436.89
    bromobenzene 451.97
    dibromomethane 1167.4
    1,1,2,2-tetrachloroethane 1206.21
    2-methyl-cyclohexyl acetate 375.26
    tetrabutyl urea 225.96
    diisobutyl methanol 281.77
    2-phenylethanol 372.52
    styrene 293.97
    dioctyl adipate 266.93
    dimethyl sulfate 224.09
    ethyl butyrate 611.86
    methyl lactate 194.49
    butyl lactate 267.03
    diethyl carbonate 366.55
    propanediol butyl ether 366.41
    triethyl orthoformate 366.8
    p-tert-butyltoluene 186.24
    methyl 4-tert-butylbenzoate 306.43
    morpholine 1661.45
    tert-butylamine 885.64
    n-dodecanol 190.05
    dimethoxymethane 613.52
    ethylene carbonate 496.9
    cyrene 266.64
    2-ethoxyethyl acetate 419.61
    2-ethylhexyl acetate 588.3
    1,2,4-trichlorobenzene 361.7
    4-methylpyridine 724.36
    dibutyl ether 596.64
    2,6-dimethyl-4-heptanol 281.77
    DEF 607.02
    dimethyl isosorbide 525.92
    tetrachloroethylene 744.92
    eugenol 269.92
    triacetin 367.43
    span 80 372.53
    1,4-butanediol 183.94
    1,1-dichloroethane 1098.77
    2-methyl-1-pentanol 458.8
    methyl formate 258.37
    2-methyl-1-butanol 568.8
    n-decane 116.96
    butyronitrile 989.07
    3,7-dimethyl-1-octanol 346.64
    1-chlorooctane 292.0
    1-chlorotetradecane 120.21
    n-nonane 123.3
    undecane 84.28
    tert-butylcyclohexane 134.43
    cyclooctane 111.2
    cyclopentanol 478.38
    tetrahydropyran 1711.95
    tert-amyl methyl ether 601.36
    2,5,8-trioxanonane 601.18
    1-hexene 842.86
    2-isopropoxyethanol 429.84
    2,2,2-trifluoroethanol 113.55
    methyl butyrate 592.3

    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