1,1-Dimethylphenylethanol

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  • Identifiers

    CAS number
    100-86-7

    Molecular formula
    C10H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 93.68%
    Green 83.55%
    Rose 69.56%
    Fresh 66.32%
    Herbal 62.94%
    Lily 58.32%
    Muguet 51.71%
    Hyacinth 46.21%
    Sweet 45.84%
    Clean 41.1%

     

    Flavor
    Floral 83.46%
    Green 72.72%
    Bitter 64.79%
    Rose 61.22%
    Oily 49.13%
    Clean 37.85%
    Lily 34.16%
    Sweet 33.24%
    Cortex 32.16%
    Hyacinth 31.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.05 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Melting point expt.

    • 24 °C

    Flash point

    • 95.32 ˚C est.

    Solubility expt.

    • Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Methyl-1-phenyl-2-propanol
    • 100-86-7
    • 2-Methyl-1-phenylpropan-2-ol
    • Benzyldimethylcarbinol
    • Dimethylbenzylcarbinol
    • 2-Benzyl-2-propanol
    • 1,1-Dimethylphenylethanol
    • Phenyl-tert-butanol
    • dimethyl benzyl carbinol
    • DMBC
    • Benzylpropyl alcohol
    • 1,1-Dimethyl-2-phenylethanol
    • alpha,alpha-Dimethylphenethyl alcohol
    • Benzyl dimethyl carbinol
    • alpha,alpha-Dimethylphenethanol
    • beta-Phenyl-tert-butyl alcohol
    • 2-Hydroxy-2-methyl-1-phenylpropane
    • DMBC (VAN)
    • alpha,alpha-Dimethylbenzeneethanol
    • dimethylbenzyl carbinol
    • NSC 27228
    • FEMA No. 2393
    • 2-methyl-1-phenyl-propan-2-ol
    • Benzeneethanol, .alpha.,.alpha.-dimethyl-
    • 1,1-Dimethyl-2-phenylethyl alcohol
    • EINECS 202-896-0
    • N95NCI59MI
    • Benzeneethanol, alpha,alpha-dimethyl-
    • BRN 1855608
    • DTXSID1047601
    • .alpha.,.alpha.-Dimethylphenethyl alcohol
    • AI3-02949
    • MFCD00004465
    • NSC-27228
    • 2-Methyl-3-phenyl-2-propanol
    • DTXCID9027601
    • Phenethyl alcohol, .alpha.,.alpha.-dimethyl-
    • .beta.-Phenyl-tert-butyl alcohol
    • 4-06-00-03290 (Beilstein Handbook Reference)
    • .alpha., tech.
    • .alpha.,.alpha.-Dimethylphenethanol
    • DIMETHYL BENZYL CARBINOL [FCC]
    • .ALPHA.,.ALPHA.-DIMETHYLPHENETHYL ALCOHOL [FHFI]
    • Benzeneethanol,.alpha.-dimethyl-
    • Phenethyl alcohol,.alpha.-dimethyl-
    • WLN: QX1 & 1 & 1R
    • 2-Methyl-1-phenyl-2-propanol, 98%
    • UNII-N95NCI59MI
    • 1-phenyl-2-methyl-2-propanol
    • Phenyltertbutanol
    • PHENETHYL ALCOHOL, alpha,alpha-DIMETHYL-
    • 2Benzyl2propanol
    • alpha-Dimethyl-alpha
    • .alpha.,.alpha.-Dimethylbenzeneethanol
    • Darocur 1173
    • 2Methyl1phenylpropan2ol
    • 1,1Dimethylphenylethanol
    • 1,1Dimethyl2phenylethanol
    • betaPhenyltertbutyl alcohol
    • alpha,alphaDimethylphenethanol
    • SCHEMBL21353
    • 2Hydroxy2methyl1phenylpropane
    • Benzeneethanol, a,a-dimethyl-
    • 2-Methyl-3-phenylpropan-2-ol
    • 1,1-dimethyl-2-phenyl-ethanol
    • 2-phenyl-1,1-dimethyl ethanol
    • alpha,alphaDimethylbenzeneethanol
    • a,a-Dimethylbenzeneethanol, 9CI
    • CHEMBL3183743
    • FEMA 2393
    • RIWRBSMFKVOJMN-UHFFFAOYSA-
    • NSC5236
    • CHEBI:195903
    • Benzeneethanol, alpha,alphadimethyl
    • alpha,alpha-Dimethyl-Benzeneethanol
    • alpha,alphaDimethylphenethyl alcohol
    • Ethanol, 1,1-dimethyl-2-phenyl-
    • a,a-Dimethylphenethyl alcohol, 8CI
    • NSC-5236
    • NSC27228
    • NSC46103
    • 1,1 -dimethyl-2-phenylethylalcohol
    • 1-phenyl-2-hydroxy-2-methylpropane
    • Tox21_302533
    • Alphaalpha-dimethyl-Phenethyl alcohol
    • NSC-46103
    • alpha, alpha-Dimethylphenethyl alcohol
    • Phenethyl alcohol, alpha,alphadimethyl
    • AKOS009156717
    • alpha,alpha dimethyl phenyethyl alcohol
    • alpha,alpha-Dimethyl-Phenethyl alcohol
    • alpha,alpha-dimethylphenylethyl alcohol
    • CS-W016322
    • NCGC00256627-01
    • CAS-100-86-7
    • SY047029
    • .alpha.,.alpha.-Dimethylphenylethyl alcohol
    • alpha,alpha-Dimethyl-beta-phenylethyl alcohol
    • D0783
    • NS00008845
    • EN300-91477
    • .alpha.,.alpha.-Dimethyl-.beta.-phenylethyl alcohol
    • Q27284729
    • F0001-0030
    • InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
    • 202-896-0

  • Applications

    1,1-Dimethylphenylethanol is used primarily as an intermediate in fragrance chemistry and as a solvent or processing aid in fragrance and personal care formulations. In perfumery it can act as an odorant or fixative, contributing to the overall scent profile; in cosmetics and household products it is used as a fragrance ingredient. It also serves as a building block in organic synthesis for polymers and specialty chemicals and may be employed in coatings and inks as an additional scent component; its use in industrial manufacturing is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 252.59
    methanol 315.24
    isopropanol 240.99
    water 4.0
    ethyl acetate 113.32
    n-propanol 226.25
    acetone 215.49
    n-butanol 221.35
    acetonitrile 135.94
    DMF 313.98
    toluene 71.77
    isobutanol 179.07
    1,4-dioxane 294.05
    methyl acetate 123.88
    THF 411.04
    2-butanone 163.16
    n-pentanol 157.31
    sec-butanol 200.5
    n-hexane 100.35
    ethylene glycol 136.1
    NMP 229.96
    cyclohexane 92.47
    DMSO 253.97
    n-butyl acetate 161.73
    n-octanol 182.36
    chloroform 271.23
    n-propyl acetate 85.35
    acetic acid 148.62
    dichloromethane 166.66
    cyclohexanone 222.04
    propylene glycol 213.04
    isopropyl acetate 83.02
    DMAc 263.94
    2-ethoxyethanol 172.69
    isopentanol 179.87
    n-heptane 151.24
    ethyl formate 85.71
    1,2-dichloroethane 98.51
    n-hexanol 435.02
    2-methoxyethanol 279.58
    isobutyl acetate 77.35
    tetrachloromethane 55.84
    n-pentyl acetate 86.57
    transcutol 396.7
    n-heptanol 159.47
    ethylbenzene 63.1
    MIBK 117.71
    2-propoxyethanol 403.16
    tert-butanol 326.23
    MTBE 190.42
    2-butoxyethanol 180.69
    propionic acid 148.22
    o-xylene 68.16
    formic acid 56.11
    diethyl ether 174.33
    m-xylene 76.45
    p-xylene 73.44
    chlorobenzene 66.5
    dimethyl carbonate 72.15
    n-octane 39.8
    formamide 54.87
    cyclopentanone 244.11
    2-pentanone 146.37
    anisole 123.31
    cyclopentyl methyl ether 206.03
    gamma-butyrolactone 213.14
    1-methoxy-2-propanol 276.7
    pyridine 116.73
    3-pentanone 122.36
    furfural 169.69
    n-dodecane 34.74
    diethylene glycol 310.28
    diisopropyl ether 81.09
    tert-amyl alcohol 229.75
    acetylacetone 135.4
    n-hexadecane 36.18
    acetophenone 99.6
    methyl propionate 120.7
    isopentyl acetate 141.64
    trichloroethylene 165.35
    n-nonanol 150.24
    cyclohexanol 202.44
    benzyl alcohol 95.84
    2-ethylhexanol 227.41
    isooctanol 114.82
    dipropyl ether 269.3
    1,2-dichlorobenzene 69.53
    ethyl lactate 89.72
    propylene carbonate 136.15
    n-methylformamide 118.86
    2-pentanol 168.04
    n-pentane 82.28
    1-propoxy-2-propanol 314.11
    1-methoxy-2-propyl acetate 173.6
    2-(2-methoxypropoxy) propanol 215.27
    mesitylene 61.79
    ε-caprolactone 158.81
    p-cymene 78.2
    epichlorohydrin 172.97
    1,1,1-trichloroethane 117.37
    2-aminoethanol 202.47
    morpholine-4-carbaldehyde 283.53
    sulfolane 259.75
    2,2,4-trimethylpentane 37.67
    2-methyltetrahydrofuran 235.96
    n-hexyl acetate 162.85
    isooctane 37.25
    2-(2-butoxyethoxy)ethanol 245.4
    sec-butyl acetate 65.6
    tert-butyl acetate 117.0
    decalin 46.52
    glycerin 255.14
    diglyme 334.36
    acrylic acid 122.54
    isopropyl myristate 88.91
    n-butyric acid 168.38
    acetyl acetate 77.96
    di(2-ethylhexyl) phthalate 94.08
    ethyl propionate 85.99
    nitromethane 171.07
    1,2-diethoxyethane 151.82
    benzonitrile 96.45
    trioctyl phosphate 77.73
    1-bromopropane 112.94
    gamma-valerolactone 255.81
    n-decanol 123.7
    triethyl phosphate 78.25
    4-methyl-2-pentanol 114.61
    propionitrile 136.0
    vinylene carbonate 117.94
    1,1,2-trichlorotrifluoroethane 190.66
    DMS 105.66
    cumene 62.77
    2-octanol 106.32
    2-hexanone 121.92
    octyl acetate 113.44
    limonene 123.73
    1,2-dimethoxyethane 269.39
    ethyl orthosilicate 78.91
    tributyl phosphate 82.18
    diacetone alcohol 174.08
    N,N-dimethylaniline 119.87
    acrylonitrile 127.12
    aniline 86.93
    1,3-propanediol 185.17
    bromobenzene 64.63
    dibromomethane 137.4
    1,1,2,2-tetrachloroethane 170.36
    2-methyl-cyclohexyl acetate 129.01
    tetrabutyl urea 117.86
    diisobutyl methanol 125.26
    2-phenylethanol 143.14
    styrene 64.34
    dioctyl adipate 117.98
    dimethyl sulfate 105.65
    ethyl butyrate 119.46
    methyl lactate 127.48
    butyl lactate 106.62
    diethyl carbonate 87.91
    propanediol butyl ether 224.16
    triethyl orthoformate 105.41
    p-tert-butyltoluene 87.07
    methyl 4-tert-butylbenzoate 151.81
    morpholine 291.3
    tert-butylamine 249.61
    n-dodecanol 106.94
    dimethoxymethane 209.52
    ethylene carbonate 103.6
    cyrene 168.72
    2-ethoxyethyl acetate 98.42
    2-ethylhexyl acetate 120.33
    1,2,4-trichlorobenzene 85.11
    4-methylpyridine 121.23
    dibutyl ether 148.47
    2,6-dimethyl-4-heptanol 125.26
    DEF 147.86
    dimethyl isosorbide 280.75
    tetrachloroethylene 111.24
    eugenol 145.45
    triacetin 148.26
    span 80 228.86
    1,4-butanediol 107.78
    1,1-dichloroethane 121.82
    2-methyl-1-pentanol 132.49
    methyl formate 97.09
    2-methyl-1-butanol 168.8
    n-decane 50.97
    butyronitrile 148.88
    3,7-dimethyl-1-octanol 162.25
    1-chlorooctane 104.26
    1-chlorotetradecane 55.73
    n-nonane 54.26
    undecane 40.61
    tert-butylcyclohexane 52.18
    cyclooctane 45.07
    cyclopentanol 190.18
    tetrahydropyran 265.4
    tert-amyl methyl ether 159.83
    2,5,8-trioxanonane 290.1
    1-hexene 160.4
    2-isopropoxyethanol 140.68
    2,2,2-trifluoroethanol 56.71
    methyl butyrate 103.53

    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