1,2-Diphenylethanol

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  • Identifiers

    CAS number
    614-29-9

    Molecular formula
    C14H14O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 82.41%
    Rose 73.26%
    Balsamic 47.32%
    Green 45.1%
    Honey 44.12%
    Hyacinth 40.16%
    Geranium 39.94%
    Sweet 39.66%
    Metallic 32.57%
    Earthy 30.73%

     

    Flavor
    Sweet 82.1%
    Floral 63.5%
    Rose 53.55%
    Balsam 46.84%
    Honey 46.0%
    Green 45.8%
    Hyacinth 42.32%
    Fruity 35.65%
    Mild 29.86%
    Bitter 28.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.65 (neutral)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 154.75 ˚C est.

  • Synonyms

    • 1,2-Diphenylethanol
    • 614-29-9
    • 1,2-diphenylethan-1-ol
    • Benzylphenylcarbinol
    • 1,2-Diphenyl-1-hydroxyethane
    • Benzeneethanol, .alpha.-phenyl-
    • Ethanol, 1,2-diphenyl-
    • .alpha.-Hydroxydibenzyl
    • alpha-Hydroxydibenzyl
    • 1,2-Diphenyl-ethanol
    • NSC 39
    • NR12DKP8EP
    • .alpha.-Phenylbenzeneethanol
    • Benzeneethanol, alpha-phenyl-
    • NSC-39
    • EINECS 210-374-9
    • NSC 227194
    • NSC-227194
    • DTXSID30870692
    • Ethanol,2-diphenyl-
    • (+/-)-1,2-DIPHENYLETHANOL
    • 1,2-DIPHENYLETHANOL, (+/-)-
    • alpha-Phenylbenzeneethanol
    • UNII-NR12DKP8EP
    • 1,2-diphenyl-1-ethanol
    • Cambridge id 5105095
    • NSC39
    • BENZYL PHENYL CARBINOL
    • SCHEMBL125923
    • DTXCID10818390
    • Ethanol, 1,2-diphenyl-(8CI)
    • BENZENEETHANOL, ?-PHENYL-
    • HMS1577M21
    • AAA61429
    • MFCD00021859
    • NSC227194
    • NSC600175
    • AKOS000126015
    • AKOS022302433
    • NSC-600175
    • SB47694
    • SB47757
    • BS-51418
    • NS00042520
    • EN300-55433
    • E78713
    • Z228586240
    • 210-374-9

  • Applications

    1,2-Diphenylethanol (CAS 614-29-9) is primarily used as a chiral building block and synthetic intermediate in organic chemistry, enabling access to enantioenriched diaryl secondary alcohols for pharmaceutical and fine-chemical applications. It is commonly employed as a fragrance/cosmetic intermediate, serving as a precursor to fragrance derivatives and related odorant syntheses. In industrial manufacturing, it is used as a precursor to specialized intermediates and ligands for asymmetric catalysis, supporting the production of chiral catalysts and related materials. It may also serve as a starting material for the synthesis of coatings/inks-related derivatives or other specialty chemicals derived from diaryl ethanols.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.23
    methanol 50.01
    isopropanol 21.13
    water 0.15
    ethyl acetate 131.71
    n-propanol 33.29
    acetone 61.98
    n-butanol 28.56
    acetonitrile 73.1
    DMF 94.41
    toluene 27.88
    isobutanol 17.21
    1,4-dioxane 313.36
    methyl acetate 85.88
    THF 298.33
    2-butanone 75.5
    n-pentanol 25.02
    sec-butanol 16.57
    n-hexane 7.4
    ethylene glycol 12.7
    NMP 50.07
    cyclohexane 9.6
    DMSO 175.8
    n-butyl acetate 85.66
    n-octanol 16.69
    chloroform 182.75
    n-propyl acetate 74.84
    acetic acid 70.36
    dichloromethane 133.5
    cyclohexanone 110.53
    propylene glycol 17.88
    isopropyl acetate 69.48
    DMAc 128.36
    2-ethoxyethanol 63.11
    isopentanol 28.04
    n-heptane 10.84
    ethyl formate 61.52
    1,2-dichloroethane 160.64
    n-hexanol 47.07
    2-methoxyethanol 94.98
    isobutyl acetate 55.37
    tetrachloromethane 12.1
    n-pentyl acetate 34.1
    transcutol 481.08
    n-heptanol 22.33
    ethylbenzene 28.86
    MIBK 58.13
    2-propoxyethanol 93.35
    tert-butanol 39.65
    MTBE 51.05
    2-butoxyethanol 53.02
    propionic acid 48.18
    o-xylene 22.17
    formic acid 16.64
    diethyl ether 100.11
    m-xylene 21.83
    p-xylene 26.67
    chlorobenzene 47.89
    dimethyl carbonate 55.24
    n-octane 4.01
    formamide 40.68
    cyclopentanone 145.69
    2-pentanone 69.91
    anisole 82.0
    cyclopentyl methyl ether 68.25
    gamma-butyrolactone 173.52
    1-methoxy-2-propanol 73.92
    pyridine 145.56
    3-pentanone 60.59
    furfural 137.3
    n-dodecane 3.23
    diethylene glycol 69.95
    diisopropyl ether 26.01
    tert-amyl alcohol 28.13
    acetylacetone 114.39
    n-hexadecane 3.72
    acetophenone 69.41
    methyl propionate 78.8
    isopentyl acetate 78.92
    trichloroethylene 244.59
    n-nonanol 18.64
    cyclohexanol 23.19
    benzyl alcohol 38.94
    2-ethylhexanol 36.08
    isooctanol 22.17
    dipropyl ether 95.83
    1,2-dichlorobenzene 54.37
    ethyl lactate 37.31
    propylene carbonate 105.68
    n-methylformamide 46.15
    2-pentanol 18.35
    n-pentane 3.66
    1-propoxy-2-propanol 73.13
    1-methoxy-2-propyl acetate 98.92
    2-(2-methoxypropoxy) propanol 80.81
    mesitylene 18.7
    ε-caprolactone 101.73
    p-cymene 23.75
    epichlorohydrin 207.58
    1,1,1-trichloroethane 75.35
    2-aminoethanol 25.09
    morpholine-4-carbaldehyde 126.04
    sulfolane 161.47
    2,2,4-trimethylpentane 3.89
    2-methyltetrahydrofuran 99.07
    n-hexyl acetate 45.24
    isooctane 3.89
    2-(2-butoxyethoxy)ethanol 109.22
    sec-butyl acetate 53.3
    tert-butyl acetate 74.23
    decalin 8.45
    glycerin 34.07
    diglyme 248.42
    acrylic acid 45.14
    isopropyl myristate 29.02
    n-butyric acid 83.48
    acetyl acetate 87.56
    di(2-ethylhexyl) phthalate 25.52
    ethyl propionate 79.88
    nitromethane 161.29
    1,2-diethoxyethane 144.52
    benzonitrile 51.73
    trioctyl phosphate 17.43
    1-bromopropane 50.21
    gamma-valerolactone 179.13
    n-decanol 15.91
    triethyl phosphate 42.58
    4-methyl-2-pentanol 20.82
    propionitrile 62.75
    vinylene carbonate 96.27
    1,1,2-trichlorotrifluoroethane 118.78
    DMS 63.95
    cumene 23.35
    2-octanol 12.43
    2-hexanone 61.73
    octyl acetate 30.41
    limonene 30.37
    1,2-dimethoxyethane 186.95
    ethyl orthosilicate 41.7
    tributyl phosphate 23.84
    diacetone alcohol 72.67
    N,N-dimethylaniline 51.41
    acrylonitrile 78.81
    aniline 35.12
    1,3-propanediol 38.76
    bromobenzene 46.09
    dibromomethane 83.87
    1,1,2,2-tetrachloroethane 211.79
    2-methyl-cyclohexyl acetate 63.13
    tetrabutyl urea 31.5
    diisobutyl methanol 30.84
    2-phenylethanol 46.53
    styrene 33.09
    dioctyl adipate 46.27
    dimethyl sulfate 75.06
    ethyl butyrate 91.93
    methyl lactate 41.03
    butyl lactate 35.25
    diethyl carbonate 69.64
    propanediol butyl ether 38.98
    triethyl orthoformate 65.32
    p-tert-butyltoluene 22.93
    methyl 4-tert-butylbenzoate 63.93
    morpholine 212.8
    tert-butylamine 24.97
    n-dodecanol 13.82
    dimethoxymethane 133.62
    ethylene carbonate 82.79
    cyrene 59.12
    2-ethoxyethyl acetate 66.78
    2-ethylhexyl acetate 59.55
    1,2,4-trichlorobenzene 64.24
    4-methylpyridine 73.69
    dibutyl ether 49.25
    2,6-dimethyl-4-heptanol 30.84
    DEF 74.79
    dimethyl isosorbide 135.27
    tetrachloroethylene 113.57
    eugenol 60.65
    triacetin 72.63
    span 80 55.0
    1,4-butanediol 14.56
    1,1-dichloroethane 72.03
    2-methyl-1-pentanol 28.5
    methyl formate 46.44
    2-methyl-1-butanol 20.0
    n-decane 5.21
    butyronitrile 56.91
    3,7-dimethyl-1-octanol 26.44
    1-chlorooctane 18.3
    1-chlorotetradecane 9.49
    n-nonane 4.68
    undecane 3.92
    tert-butylcyclohexane 8.6
    cyclooctane 4.24
    cyclopentanol 22.54
    tetrahydropyran 162.33
    tert-amyl methyl ether 40.24
    2,5,8-trioxanonane 167.55
    1-hexene 29.18
    2-isopropoxyethanol 48.98
    2,2,2-trifluoroethanol 24.02
    methyl butyrate 87.94

    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