Benzeneethanol, alpha,alpha,4-trimethyl-

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  • Identifiers

    CAS number
    20834-59-7

    Molecular formula
    C11H16O

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

  • Odor profile

    Fragrance
    Floral 92.33%
    Green 79.6%
    Herbal 58.2%
    Fresh 56.87%
    Rose 56.59%
    Lily 52.14%
    Muguet 46.81%
    Sweet 40.7%
    Earthy 38.41%
    Hyacinth 38.4%

     

    Flavor
    Floral 79.1%
    Green 54.5%
    Bitter 50.36%
    Rose 48.08%
    Oily 43.41%
    Sweet 39.29%
    Citrus 37.18%
    Clean 32.24%
    Flower 29.87%
    Lily 29.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.86 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 103.98 ˚C est.

  • Synonyms

    • 20834-59-7
    • 2-Methyl-1-(p-tolyl)-2-propanol
    • Benzeneethanol, alpha,alpha,4-trimethyl-
    • 2-methyl-1-(4-methylphenyl)propan-2-ol
    • 2-methyl-1-(p-tolyl)propan-2-ol
    • para-Methylbenzyl dimethyl carbinol
    • Benzeneethanol, .alpha.,.alpha.,4-trimethyl-
    • EINECS 244-072-3
    • DTXSID1066659
    • alpha,alpha,4-Trimethylphenethyl alcohol
    • cumin carbinol
    • 2-methyl-1-p-tolylpropan-2-ol
    • MFCD00021809
    • SCHEMBL295944
    • DTXCID1036389
    • TRIMETHYLPHENETHYL ALCOHOL
    • Benzeneethanol,a,a,4-trimethyl-
    • 1,1-Dimethyl-2-(p-tolyl)ethanol
    • 2-Methyl-1-(4-methylphenyl)-2-propanol #
    • CS-0320707
    • M2019
    • NS00013302
    • D78400
    • Phenethyl alcohol, p,.alpha.,.alpha.-trimethyl-
    • BENZENEETHANOL, | inverted exclamation mark,| inverted exclamation mark,4-TRIMETHYL-

  • Applications

    Benzeneethanol, alpha,alpha,4-trimethyl- (CAS 20834-59-7) is primarily used in perfumery and cosmetics as an odorant and potential fragrance fixative, helping to extend scent longevity. It also serves as an intermediate in the synthesis of other fragrance materials and can function as a specialty solvent or carrier for fragrance concentrates. In household products such as cleaners and air fresheners, it may be added to deliver a desirable aroma. In coatings and inks, it can be used as a fragrance additive to impart a distinct odor profile. Additionally, it may be used in polymers/plastics formulations to introduce scent, and, in industrial manufacturing, as a chemical intermediate for fragrance-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1065.45
    methanol 1271.04
    isopropanol 879.44
    water 9.38
    ethyl acetate 661.65
    n-propanol 1023.81
    acetone 1088.2
    n-butanol 958.13
    acetonitrile 574.74
    DMF 1307.92
    toluene 283.9
    isobutanol 730.24
    1,4-dioxane 1037.3
    methyl acetate 812.59
    THF 1417.84
    2-butanone 1009.57
    n-pentanol 757.31
    sec-butanol 848.18
    n-hexane 417.54
    ethylene glycol 410.27
    NMP 837.8
    cyclohexane 214.26
    DMSO 849.34
    n-butyl acetate 472.7
    n-octanol 442.54
    chloroform 932.54
    n-propyl acetate 417.06
    acetic acid 727.15
    dichloromethane 572.47
    cyclohexanone 824.62
    propylene glycol 639.52
    isopropyl acetate 474.02
    DMAc 1424.67
    2-ethoxyethanol 898.74
    isopentanol 822.51
    n-heptane 148.66
    ethyl formate 403.18
    1,2-dichloroethane 538.94
    n-hexanol 1082.8
    2-methoxyethanol 1229.21
    isobutyl acetate 324.88
    tetrachloromethane 245.46
    n-pentyl acetate 283.38
    transcutol 1708.55
    n-heptanol 410.93
    ethylbenzene 220.74
    MIBK 512.99
    2-propoxyethanol 1349.31
    tert-butanol 1096.39
    MTBE 1201.7
    2-butoxyethanol 618.15
    propionic acid 741.11
    o-xylene 226.89
    formic acid 357.45
    diethyl ether 1134.49
    m-xylene 242.87
    p-xylene 262.85
    chlorobenzene 312.56
    dimethyl carbonate 337.52
    n-octane 58.54
    formamide 315.73
    cyclopentanone 872.43
    2-pentanone 774.85
    anisole 438.05
    cyclopentyl methyl ether 865.23
    gamma-butyrolactone 767.07
    1-methoxy-2-propanol 1031.81
    pyridine 524.85
    3-pentanone 698.89
    furfural 617.36
    n-dodecane 40.37
    diethylene glycol 898.82
    diisopropyl ether 384.06
    tert-amyl alcohol 985.52
    acetylacetone 601.5
    n-hexadecane 44.3
    acetophenone 336.68
    methyl propionate 632.43
    isopentyl acetate 444.1
    trichloroethylene 828.25
    n-nonanol 372.75
    cyclohexanol 612.31
    benzyl alcohol 333.92
    2-ethylhexanol 510.06
    isooctanol 301.69
    dipropyl ether 557.89
    1,2-dichlorobenzene 261.9
    ethyl lactate 278.77
    propylene carbonate 438.26
    n-methylformamide 646.51
    2-pentanol 680.78
    n-pentane 244.69
    1-propoxy-2-propanol 814.86
    1-methoxy-2-propyl acetate 547.77
    2-(2-methoxypropoxy) propanol 481.74
    mesitylene 165.66
    ε-caprolactone 689.95
    p-cymene 132.09
    epichlorohydrin 882.1
    1,1,1-trichloroethane 634.01
    2-aminoethanol 714.75
    morpholine-4-carbaldehyde 918.2
    sulfolane 735.05
    2,2,4-trimethylpentane 128.98
    2-methyltetrahydrofuran 1125.58
    n-hexyl acetate 578.24
    isooctane 104.51
    2-(2-butoxyethoxy)ethanol 712.66
    sec-butyl acetate 333.26
    tert-butyl acetate 559.03
    decalin 129.7
    glycerin 702.9
    diglyme 1063.4
    acrylic acid 568.17
    isopropyl myristate 193.94
    n-butyric acid 747.83
    acetyl acetate 366.7
    di(2-ethylhexyl) phthalate 175.0
    ethyl propionate 424.43
    nitromethane 821.34
    1,2-diethoxyethane 567.21
    benzonitrile 298.02
    trioctyl phosphate 146.54
    1-bromopropane 522.05
    gamma-valerolactone 993.98
    n-decanol 272.93
    triethyl phosphate 169.38
    4-methyl-2-pentanol 428.05
    propionitrile 611.1
    vinylene carbonate 385.78
    1,1,2-trichlorotrifluoroethane 821.3
    DMS 395.88
    cumene 180.46
    2-octanol 248.58
    2-hexanone 584.49
    octyl acetate 274.08
    limonene 230.9
    1,2-dimethoxyethane 1168.97
    ethyl orthosilicate 190.56
    tributyl phosphate 171.76
    diacetone alcohol 654.96
    N,N-dimethylaniline 323.22
    acrylonitrile 542.68
    aniline 397.46
    1,3-propanediol 699.52
    bromobenzene 273.27
    dibromomethane 459.96
    1,1,2,2-tetrachloroethane 840.41
    2-methyl-cyclohexyl acetate 299.96
    tetrabutyl urea 222.33
    diisobutyl methanol 243.33
    2-phenylethanol 419.0
    styrene 239.41
    dioctyl adipate 225.3
    dimethyl sulfate 441.39
    ethyl butyrate 312.1
    methyl lactate 428.74
    butyl lactate 292.89
    diethyl carbonate 210.38
    propanediol butyl ether 639.79
    triethyl orthoformate 266.93
    p-tert-butyltoluene 143.29
    methyl 4-tert-butylbenzoate 310.27
    morpholine 1236.93
    tert-butylamine 783.39
    n-dodecanol 203.07
    dimethoxymethane 852.58
    ethylene carbonate 365.94
    cyrene 374.54
    2-ethoxyethyl acetate 386.25
    2-ethylhexyl acetate 365.43
    1,2,4-trichlorobenzene 340.43
    4-methylpyridine 572.99
    dibutyl ether 422.55
    2,6-dimethyl-4-heptanol 243.33
    DEF 794.45
    dimethyl isosorbide 504.73
    tetrachloroethylene 572.68
    eugenol 318.94
    triacetin 386.32
    span 80 447.6
    1,4-butanediol 392.01
    1,1-dichloroethane 607.23
    2-methyl-1-pentanol 633.85
    methyl formate 476.01
    2-methyl-1-butanol 786.92
    n-decane 76.47
    butyronitrile 555.11
    3,7-dimethyl-1-octanol 395.44
    1-chlorooctane 245.06
    1-chlorotetradecane 87.2
    n-nonane 84.44
    undecane 52.86
    tert-butylcyclohexane 154.3
    cyclooctane 95.2
    cyclopentanol 585.33
    tetrahydropyran 1159.0
    tert-amyl methyl ether 892.21
    2,5,8-trioxanonane 606.97
    1-hexene 751.08
    2-isopropoxyethanol 654.17
    2,2,2-trifluoroethanol 301.37
    methyl butyrate 491.88

    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