1,1-Diphenylethanol

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  • Identifiers

    CAS number
    599-67-7

    Molecular formula
    C14H14O

    SMILES
    CC(C1=CC=CC=C1)(C2=CC=CC=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.51%
    Rose 58.36%
    Green 55.01%
    Sweet 52.5%
    Balsamic 47.59%
    Herbal 40.13%
    Fruity 37.49%
    Earthy 34.84%
    Geranium 31.79%
    Hyacinth 31.15%

     

    Flavor
    Sweet 74.02%
    Floral 56.02%
    Rose 50.37%
    Balsam 46.73%
    Fruity 45.85%
    Honey 34.02%
    Cherry 32.82%
    Balsamic 31.78%
    Powdery 31.46%
    Herbal 29.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.26 (weak base)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 143.94 ˚C est.

  • Synonyms

    • 1,1-Diphenylethanol
    • 599-67-7
    • Methyldiphenylcarbinol
    • Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-
    • NSC 33
    • NSC-33
    • 8V681BNM35
    • EINECS 209-970-1
    • UNII-8V681BNM35
    • AI3-05842
    • Benzenemethanol, alpha-methyl-alpha-phenyl-
    • DTXSID0060519
    • 1-HYDROXY-1,1-DIPHENYLETHANE
    • .ALPHA.-METHYL-.ALPHA.-PHENYLBENZENEMETHANOL
    • alphaMethylbenzhydrol
    • 1,1Diphenyl1ethanol
    • Benzhydrol, alphamethyl
    • RefChem:71126
    • ALPHA-METHYL-ALPHA-PHENYLBENZENEMETHANOL
    • alphaMethylbenzhydryl alcohol
    • Benzhydrol, alphamethyl (8CI)
    • DTXCID2042723
    • Benzenemethanol, alphamethylalphaphenyl
    • 209-970-1
    • GIMDPFBLSKQRNP-UHFFFAOYSA-N
    • 1,1-diphenylethan-1-ol
    • Diphenylmethylcarbinol
    • 1,1-Diphenyl-1-ethanol
    • Benzhydrol, .alpha.-methyl-
    • alpha-Methylbenzhydrol
    • MFCD00004450
    • .alpha.-Methylbenzhydrol
    • a-Methylbenzhydrol
    • Benzenemethanol, a-methyl-a-phenyl-
    • alpha-Methylbenzhydryl alcohol
    • NSC33
    • 1,1-diphenyl-ethanol
    • Benzhydrol, alpha-methyl-
    • 1,1-Diphenylethanol, 98%
    • SCHEMBL240161
    • SCHEMBL249404
    • SCHEMBL1384161
    • SCHEMBL4799337
    • AC8427
    • ICCB1_000119
    • SBB057374
    • AKOS003241981
    • FD00046
    • AS-62164
    • SY033277
    • CS-0154093
    • D0295
    • NS00034272
    • ST50308488
    • F236777
    • Q27459202
    • 599-67-7

  • Applications

    1,1-Diphenylethanol (CAS 599-67-7), also known as benzhydrol, is primarily used as an organic synthesis intermediate. It serves as a precursor for benzhydryl derivatives, including benzhydryl ethers and esters, which are employed in protecting-group chemistry and in the preparation of pharmaceutical and fine-chemical intermediates. It is also used for dye and pigment-related intermediates in coatings and inks, and may function as a starting material in fragrance chemistry for the synthesis of certain odorants. In addition, it can be a building block in polymer chemistry for benzyl-containing resins and specialty polymers, with its use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.37
    methanol 112.65
    isopropanol 86.49
    water 0.34
    ethyl acetate 282.78
    n-propanol 116.38
    acetone 360.87
    n-butanol 97.65
    acetonitrile 274.66
    DMF 628.74
    toluene 110.8
    isobutanol 73.7
    1,4-dioxane 736.22
    methyl acetate 273.15
    THF 983.58
    2-butanone 322.13
    n-pentanol 72.1
    sec-butanol 69.79
    n-hexane 56.12
    ethylene glycol 15.18
    NMP 345.93
    cyclohexane 62.45
    DMSO 344.6
    n-butyl acetate 219.46
    n-octanol 68.33
    chloroform 712.57
    n-propyl acetate 192.42
    acetic acid 94.95
    dichloromethane 644.24
    cyclohexanone 512.18
    propylene glycol 25.23
    isopropyl acetate 161.91
    DMAc 411.1
    2-ethoxyethanol 107.46
    isopentanol 85.57
    n-heptane 48.6
    ethyl formate 188.19
    1,2-dichloroethane 515.2
    n-hexanol 126.84
    2-methoxyethanol 168.85
    isobutyl acetate 133.91
    tetrachloromethane 82.82
    n-pentyl acetate 118.51
    transcutol 334.79
    n-heptanol 73.52
    ethylbenzene 103.56
    MIBK 160.1
    2-propoxyethanol 157.93
    tert-butanol 123.49
    MTBE 172.98
    2-butoxyethanol 109.14
    propionic acid 109.33
    o-xylene 76.73
    formic acid 19.71
    diethyl ether 313.29
    m-xylene 73.22
    p-xylene 106.14
    chlorobenzene 163.27
    dimethyl carbonate 144.33
    n-octane 23.98
    formamide 74.34
    cyclopentanone 661.38
    2-pentanone 266.06
    anisole 202.18
    cyclopentyl methyl ether 274.97
    gamma-butyrolactone 631.74
    1-methoxy-2-propanol 137.73
    pyridine 404.45
    3-pentanone 235.48
    furfural 349.85
    n-dodecane 15.98
    diethylene glycol 85.85
    diisopropyl ether 78.41
    tert-amyl alcohol 90.13
    acetylacetone 259.81
    n-hexadecane 18.62
    acetophenone 167.48
    methyl propionate 226.97
    isopentyl acetate 170.18
    trichloroethylene 716.09
    n-nonanol 67.04
    cyclohexanol 97.08
    benzyl alcohol 93.83
    2-ethylhexanol 94.74
    isooctanol 64.06
    dipropyl ether 220.49
    1,2-dichlorobenzene 157.12
    ethyl lactate 68.2
    propylene carbonate 298.53
    n-methylformamide 200.87
    2-pentanol 67.04
    n-pentane 29.72
    1-propoxy-2-propanol 122.26
    1-methoxy-2-propyl acetate 165.16
    2-(2-methoxypropoxy) propanol 103.87
    mesitylene 57.89
    ε-caprolactone 334.74
    p-cymene 61.02
    epichlorohydrin 614.7
    1,1,1-trichloroethane 324.63
    2-aminoethanol 38.68
    morpholine-4-carbaldehyde 371.72
    sulfolane 497.49
    2,2,4-trimethylpentane 15.56
    2-methyltetrahydrofuran 438.47
    n-hexyl acetate 158.92
    isooctane 14.67
    2-(2-butoxyethoxy)ethanol 140.01
    sec-butyl acetate 123.03
    tert-butyl acetate 163.07
    decalin 36.78
    glycerin 40.12
    diglyme 328.04
    acrylic acid 86.52
    isopropyl myristate 75.49
    n-butyric acid 175.77
    acetyl acetate 160.83
    di(2-ethylhexyl) phthalate 54.71
    ethyl propionate 176.68
    nitromethane 311.44
    1,2-diethoxyethane 218.22
    benzonitrile 140.07
    trioctyl phosphate 44.93
    1-bromopropane 253.64
    gamma-valerolactone 562.85
    n-decanol 53.59
    triethyl phosphate 79.61
    4-methyl-2-pentanol 53.13
    propionitrile 240.07
    vinylene carbonate 271.53
    1,1,2-trichlorotrifluoroethane 203.97
    DMS 146.74
    cumene 72.02
    2-octanol 53.98
    2-hexanone 190.5
    octyl acetate 86.9
    limonene 89.09
    1,2-dimethoxyethane 375.04
    ethyl orthosilicate 75.97
    tributyl phosphate 53.6
    diacetone alcohol 142.19
    N,N-dimethylaniline 128.02
    acrylonitrile 256.38
    aniline 111.25
    1,3-propanediol 69.39
    bromobenzene 174.64
    dibromomethane 429.5
    1,1,2,2-tetrachloroethane 566.5
    2-methyl-cyclohexyl acetate 128.7
    tetrabutyl urea 77.97
    diisobutyl methanol 63.2
    2-phenylethanol 105.06
    styrene 121.91
    dioctyl adipate 94.93
    dimethyl sulfate 177.28
    ethyl butyrate 184.41
    methyl lactate 81.76
    butyl lactate 71.37
    diethyl carbonate 124.7
    propanediol butyl ether 69.88
    triethyl orthoformate 113.06
    p-tert-butyltoluene 59.63
    methyl 4-tert-butylbenzoate 132.85
    morpholine 550.9
    tert-butylamine 90.62
    n-dodecanol 44.54
    dimethoxymethane 372.94
    ethylene carbonate 243.39
    cyrene 115.19
    2-ethoxyethyl acetate 145.78
    2-ethylhexyl acetate 143.92
    1,2,4-trichlorobenzene 168.27
    4-methylpyridine 278.7
    dibutyl ether 145.12
    2,6-dimethyl-4-heptanol 63.2
    DEF 271.62
    dimethyl isosorbide 214.27
    tetrachloroethylene 327.99
    eugenol 109.95
    triacetin 131.56
    span 80 86.8
    1,4-butanediol 28.01
    1,1-dichloroethane 355.46
    2-methyl-1-pentanol 68.14
    methyl formate 174.05
    2-methyl-1-butanol 71.61
    n-decane 28.39
    butyronitrile 219.48
    3,7-dimethyl-1-octanol 66.44
    1-chlorooctane 86.24
    1-chlorotetradecane 34.62
    n-nonane 28.44
    undecane 20.57
    tert-butylcyclohexane 33.2
    cyclooctane 25.76
    cyclopentanol 130.65
    tetrahydropyran 606.99
    tert-amyl methyl ether 123.56
    2,5,8-trioxanonane 203.13
    1-hexene 143.74
    2-isopropoxyethanol 88.44
    2,2,2-trifluoroethanol 45.8
    methyl butyrate 231.2

    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