Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl-

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  • Identifiers

    CAS number
    51290-65-4

    Molecular formula
    C14H22O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 90.85%
    Green 67.07%
    Lily 49.92%
    Rose 47.24%
    Sweet 47.09%
    Muguet 45.1%
    Woody 44.32%
    Fresh 42.49%
    Herbal 33.59%
    Fruity 30.63%

     

    Flavor
    Floral 74.52%
    Green 63.14%
    Sweet 40.68%
    Fresh 39.84%
    Woody 39.11%
    Citrus 34.13%
    Oily 33.72%
    Earthy 33.43%
    Bitter 33.27%
    Herbal 32.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.33 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 127.12 ˚C est.

  • Synonyms

    • 51290-65-4
    • EINECS 257-114-0
    • Benzenepropanol, 4-(1,1-dimethylethyl)-.alpha.-methyl-
    • p-tert-Butyl-alpha-methylhydrocinnamic alcohol
    • DTXSID00885950
    • Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl-
    • RefChem:563656
    • DTXCID701025305
    • 4-(p-tert-Butylphenyl)butan-2-ol
    • 4-(4-tert-butylphenyl)butan-2-ol
    • SCHEMBL1660004
    • OATMQLUGSMOYRV-UHFFFAOYSA-N
    • AKOS011019563
    • NS00056930
    • EN300-1866852
    • 51290-65-4

  • Applications

    Benzenepropanol, 4-(1,1-dimethylethyl)-alpha-methyl- (CAS 51290-65-4) is commonly used as an odorant and fragrance fixative in perfumery. It also serves as a fragrance ingredient in cosmetics and personal care formulations. In household products, it may be used as a fragrance component or solvent in cleaning and scented products. In industrial manufacturing, it functions as an intermediate for the synthesis of other organic compounds. In polymers/plastics and coatings/inks, it can act as a building block or processing aid in specialty resin and formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1241.51
    methanol 826.99
    isopropanol 962.29
    water 0.43
    ethyl acetate 995.74
    n-propanol 935.66
    acetone 755.37
    n-butanol 963.74
    acetonitrile 525.65
    DMF 627.99
    toluene 303.59
    isobutanol 578.52
    1,4-dioxane 1699.83
    methyl acetate 766.63
    THF 1651.61
    2-butanone 746.84
    n-pentanol 601.23
    sec-butanol 622.42
    n-hexane 251.38
    ethylene glycol 114.15
    NMP 277.74
    cyclohexane 201.5
    DMSO 357.92
    n-butyl acetate 851.74
    n-octanol 287.09
    chloroform 1003.56
    n-propyl acetate 511.2
    acetic acid 312.36
    dichloromethane 698.81
    cyclohexanone 663.75
    propylene glycol 306.81
    isopropyl acetate 636.71
    DMAc 601.63
    2-ethoxyethanol 779.5
    isopentanol 689.3
    n-heptane 186.51
    ethyl formate 373.49
    1,2-dichloroethane 530.47
    n-hexanol 1211.91
    2-methoxyethanol 1178.97
    isobutyl acetate 406.49
    tetrachloromethane 160.18
    n-pentyl acetate 282.52
    transcutol 2074.49
    n-heptanol 320.99
    ethylbenzene 184.28
    MIBK 438.4
    2-propoxyethanol 1508.13
    tert-butanol 1213.87
    MTBE 1377.55
    2-butoxyethanol 537.08
    propionic acid 363.44
    o-xylene 171.15
    formic acid 76.79
    diethyl ether 1413.44
    m-xylene 227.78
    p-xylene 233.22
    chlorobenzene 272.67
    dimethyl carbonate 187.09
    n-octane 57.19
    formamide 131.91
    cyclopentanone 624.47
    2-pentanone 703.19
    anisole 391.57
    cyclopentyl methyl ether 695.82
    gamma-butyrolactone 547.57
    1-methoxy-2-propanol 993.01
    pyridine 557.88
    3-pentanone 499.63
    furfural 424.26
    n-dodecane 37.91
    diethylene glycol 691.42
    diisopropyl ether 448.82
    tert-amyl alcohol 695.59
    acetylacetone 527.89
    n-hexadecane 42.39
    acetophenone 264.65
    methyl propionate 617.32
    isopentyl acetate 706.27
    trichloroethylene 733.46
    n-nonanol 258.91
    cyclohexanol 472.86
    benzyl alcohol 260.04
    2-ethylhexanol 569.39
    isooctanol 252.06
    dipropyl ether 1001.05
    1,2-dichlorobenzene 225.04
    ethyl lactate 208.6
    propylene carbonate 377.92
    n-methylformamide 287.79
    2-pentanol 620.88
    n-pentane 176.06
    1-propoxy-2-propanol 1064.62
    1-methoxy-2-propyl acetate 781.9
    2-(2-methoxypropoxy) propanol 408.83
    mesitylene 150.76
    ε-caprolactone 558.41
    p-cymene 145.62
    epichlorohydrin 795.75
    1,1,1-trichloroethane 517.45
    2-aminoethanol 369.59
    morpholine-4-carbaldehyde 723.97
    sulfolane 385.32
    2,2,4-trimethylpentane 72.79
    2-methyltetrahydrofuran 1075.29
    n-hexyl acetate 444.71
    isooctane 76.09
    2-(2-butoxyethoxy)ethanol 706.77
    sec-butyl acetate 411.78
    tert-butyl acetate 670.41
    decalin 90.21
    glycerin 274.14
    diglyme 1094.74
    acrylic acid 197.11
    isopropyl myristate 191.88
    n-butyric acid 688.66
    acetyl acetate 388.47
    di(2-ethylhexyl) phthalate 150.29
    ethyl propionate 441.92
    nitromethane 423.33
    1,2-diethoxyethane 970.14
    benzonitrile 260.01
    trioctyl phosphate 121.08
    1-bromopropane 538.75
    gamma-valerolactone 889.59
    n-decanol 202.63
    triethyl phosphate 180.78
    4-methyl-2-pentanol 371.47
    propionitrile 570.41
    vinylene carbonate 328.23
    1,1,2-trichlorotrifluoroethane 424.56
    DMS 293.09
    cumene 144.34
    2-octanol 185.09
    2-hexanone 476.21
    octyl acetate 231.59
    limonene 243.6
    1,2-dimethoxyethane 1210.5
    ethyl orthosilicate 209.81
    tributyl phosphate 156.03
    diacetone alcohol 570.75
    N,N-dimethylaniline 248.01
    acrylonitrile 381.7
    aniline 361.0
    1,3-propanediol 556.81
    bromobenzene 284.0
    dibromomethane 541.62
    1,1,2,2-tetrachloroethane 703.61
    2-methyl-cyclohexyl acetate 365.15
    tetrabutyl urea 171.66
    diisobutyl methanol 270.42
    2-phenylethanol 383.0
    styrene 211.4
    dioctyl adipate 234.8
    dimethyl sulfate 180.0
    ethyl butyrate 555.4
    methyl lactate 242.39
    butyl lactate 224.52
    diethyl carbonate 312.22
    propanediol butyl ether 413.82
    triethyl orthoformate 386.16
    p-tert-butyltoluene 161.61
    methyl 4-tert-butylbenzoate 254.72
    morpholine 1889.55
    tert-butylamine 894.96
    n-dodecanol 164.66
    dimethoxymethane 798.54
    ethylene carbonate 328.32
    cyrene 262.64
    2-ethoxyethyl acetate 418.57
    2-ethylhexyl acetate 543.21
    1,2,4-trichlorobenzene 258.15
    4-methylpyridine 578.93
    dibutyl ether 506.18
    2,6-dimethyl-4-heptanol 270.42
    DEF 568.76
    dimethyl isosorbide 574.34
    tetrachloroethylene 416.38
    eugenol 238.63
    triacetin 340.01
    span 80 378.68
    1,4-butanediol 222.9
    1,1-dichloroethane 636.85
    2-methyl-1-pentanol 418.77
    methyl formate 203.27
    2-methyl-1-butanol 513.51
    n-decane 73.21
    butyronitrile 675.28
    3,7-dimethyl-1-octanol 296.47
    1-chlorooctane 209.17
    1-chlorotetradecane 85.63
    n-nonane 74.97
    undecane 50.55
    tert-butylcyclohexane 108.16
    cyclooctane 76.96
    cyclopentanol 383.51
    tetrahydropyran 1591.85
    tert-amyl methyl ether 708.95
    2,5,8-trioxanonane 664.07
    1-hexene 631.99
    2-isopropoxyethanol 581.21
    2,2,2-trifluoroethanol 81.33
    methyl butyrate 510.98

    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