Diphenidol

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  • Identifiers

    CAS number
    972-02-1

    Molecular formula
    C21H27NO

    SMILES
    C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

  • Odor profile

    Fragrance
    Sweet 40.65%
    Floral 36.73%
    Animal 35.85%
    Fishy 30.14%
    Balsamic 29.06%
    Odorless 24.2%
    Fruity 23.8%
    Rose 23.17%
    Herbal 21.13%
    Cooling 21.04%

     

    Flavor
    Bitter 43.33%
    Sweet 37.77%
    Fruity 36.08%
    Floral 26.43%
    Balsam 24.53%
    Rose 24.38%
    Mild 23.89%
    Earthy 22.08%
    Odorless 21.22%
    Animal 20.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.16 (neutral)

    Molecular weight
    309.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    475°C

    Melting point expt.

    • 212-214
    • 104-105 °C

    Flash point

    • 199.35 ˚C est.

    Solubility expt.

    • CRYSTALS FROM CHLOROFORM + ETHYL ACETATE; FREELY SOL IN METHANOL; SOL IN WATER & CHLOROFORM; PRACTICALLY INSOL IN ETHER, BENZENE, & PETROLEUM ETHER /HCL/
    • FREELY SOL IN CHLOROFORM, ETHER & CYCLOHEXANE; SPARINGLY SOL IN ALC; INSOL IN WATER
    • 5.87e-03 g/L

  • Synonyms

    • DIPHENIDOL
    • Difenidol
    • 972-02-1
    • Vontrol
    • Avomol
    • Nometic
    • Difenidolo [DCIT]
    • diphenadol
    • Difenidolo
    • Difenidolum
    • Difenidolum [INN-Latin]
    • alpha,alpha-Diphenyl-1-piperidinebutanol
    • 1,1-Diphenyl-4-(piperidin-1-yl)butan-1-ol
    • Diphenyl(3-(1-piperidyl)propyl)carbinol
    • Diphenidol [USAN]
    • SKF 478
    • 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
    • Difenidol [INN]
    • SK&F 478
    • SK&F-478
    • SK-478
    • CHEBI:4638
    • HSDB 3316
    • EINECS 213-540-9
    • NQO8R319LY
    • 1-Piperidinebutanol, .alpha.,.alpha.-diphenyl-
    • BRN 0265884
    • Benzhydrol, alpha-(3-piperidinopropyl)-
    • DTXSID3022950
    • 1-Piperidinebutanol, alpha,alpha-diphenyl-
    • DIPHENIDOL [MI]
    • DIPHENIDOL [HSDB]
    • DIPHENIDOL [VANDF]
    • DIFENIDOL [WHO-DD]
    • DTXCID502950
    • SK&F-478A
    • Difenidol HCl
    • 1-Piperidinebutanol, a,a-diphenyl-
    • K-478-A
    • NCGC00016624-03
    • Difenidolum (INN-Latin)
    • .alpha.,.alpha.-Diphenyl-1-piperidinebutanol
    • Normavom
    • Deiphenidol Hydrochloride
    • 19-11-4
    • CAS-972-02-1
    • Diphenidol (USAN/INN)
    • UNII-NQO8R319LY
    • Prestwick0_000252
    • Prestwick1_000252
    • Prestwick2_000252
    • Prestwick3_000252
    • CHEMBL936
    • SCHEMBL34469
    • BSPBio_000064
    • SPBio_002283
    • BPBio1_000072
    • GTPL7163
    • SK&F NO 478-A
    • OGAKLTJNUQRZJU-UHFFFAOYSA-
    • 1H-INDENE-5-CARBOXYLIC ACID,2,3-DIHYDRO-3-OXO-,ETH
    • HMS3429M14
    • HY-A0270
    • Tox21_113073
    • BDBM50225701
    • EX-A10465
    • AKOS001675735
    • Tox21_113073_1
    • AC-4261
    • DB01231
    • NCGC00016624-01
    • NCGC00016624-02
    • NCGC00016624-05
    • AS-88604
    • DA-62864
    • CAS-3254-89-5
    • Benzhydrol, .alpha.-(3-piperidinopropyl)-
    • CS-0017619
    • NS00040512
    • 1,1-Diphenyl-4-(1-piperidinyl)-1-butanol #
    • C06961
    • D03858
    • EN300-22536348
    • Q5279734
    • BRD-K01663662-003-03-8
    • BRD-K01663662-003-20-2
    • 213-540-9
    • InChI=1/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2

  • Applications

    Diphenidol, CAS 972-02-1, is primarily used as a pharmaceutical active ingredient (API) in antiemetic formulations, reflecting its role in antiemetic product development. It is also considered an intermediate in medicinal chemistry, supporting the synthesis of related pharmacologically active compounds. In pharmaceutical research and development, it is often used as a starting material or scaffold for exploratory analogs and formulation studies. Additionally, it may serve as a specialty chemical for analytical method development, calibration, and reference testing in analytical laboratories, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 71.35
    methanol 73.92
    isopropanol 46.1
    water 0.24
    ethyl acetate 307.22
    n-propanol 97.87
    acetone 354.08
    n-butanol 89.08
    acetonitrile 104.67
    DMF 578.11
    toluene 178.95
    isobutanol 72.1
    1,4-dioxane 347.44
    methyl acetate 266.52
    THF 641.75
    2-butanone 303.44
    n-pentanol 57.41
    sec-butanol 53.08
    n-hexane 10.97
    ethylene glycol 11.21
    NMP 409.67
    cyclohexane 28.48
    DMSO 456.24
    n-butyl acetate 221.8
    n-octanol 28.23
    chloroform 1269.97
    n-propyl acetate 185.61
    acetic acid 164.94
    dichloromethane 1453.71
    cyclohexanone 477.28
    propylene glycol 22.53
    isopropyl acetate 181.86
    DMAc 541.66
    2-ethoxyethanol 125.35
    isopentanol 86.05
    n-heptane 10.93
    ethyl formate 197.43
    1,2-dichloroethane 987.72
    n-hexanol 65.8
    2-methoxyethanol 169.78
    isobutyl acetate 125.85
    tetrachloromethane 109.02
    n-pentyl acetate 121.08
    transcutol 532.85
    n-heptanol 42.73
    ethylbenzene 63.24
    MIBK 152.41
    2-propoxyethanol 153.85
    tert-butanol 63.88
    MTBE 108.76
    2-butoxyethanol 110.09
    propionic acid 140.45
    o-xylene 97.59
    formic acid 46.57
    diethyl ether 196.76
    m-xylene 94.34
    p-xylene 75.96
    chlorobenzene 324.3
    dimethyl carbonate 161.26
    n-octane 5.12
    formamide 110.1
    cyclopentanone 645.72
    2-pentanone 263.69
    anisole 124.39
    cyclopentyl methyl ether 259.87
    gamma-butyrolactone 730.05
    1-methoxy-2-propanol 139.04
    pyridine 391.11
    3-pentanone 255.24
    furfural 470.17
    n-dodecane 3.45
    diethylene glycol 93.85
    diisopropyl ether 50.31
    tert-amyl alcohol 60.88
    acetylacetone 311.95
    n-hexadecane 4.13
    acetophenone 154.65
    methyl propionate 279.94
    isopentyl acetate 180.15
    trichloroethylene 1472.32
    n-nonanol 31.1
    cyclohexanol 107.03
    benzyl alcohol 102.09
    2-ethylhexanol 53.77
    isooctanol 42.13
    dipropyl ether 111.66
    1,2-dichlorobenzene 288.96
    ethyl lactate 84.06
    propylene carbonate 382.65
    n-methylformamide 234.76
    2-pentanol 55.46
    n-pentane 10.89
    1-propoxy-2-propanol 121.95
    1-methoxy-2-propyl acetate 210.68
    2-(2-methoxypropoxy) propanol 95.19
    mesitylene 53.85
    ε-caprolactone 375.01
    p-cymene 44.37
    epichlorohydrin 868.34
    1,1,1-trichloroethane 512.7
    2-aminoethanol 35.68
    morpholine-4-carbaldehyde 364.05
    sulfolane 724.9
    2,2,4-trimethylpentane 9.16
    2-methyltetrahydrofuran 309.29
    n-hexyl acetate 115.28
    isooctane 5.88
    2-(2-butoxyethoxy)ethanol 136.76
    sec-butyl acetate 119.77
    tert-butyl acetate 166.84
    decalin 14.44
    glycerin 44.47
    diglyme 327.04
    acrylic acid 126.59
    isopropyl myristate 47.39
    n-butyric acid 228.8
    acetyl acetate 192.28
    di(2-ethylhexyl) phthalate 52.64
    ethyl propionate 159.51
    nitromethane 453.36
    1,2-diethoxyethane 195.95
    benzonitrile 145.59
    trioctyl phosphate 35.92
    1-bromopropane 333.78
    gamma-valerolactone 639.12
    n-decanol 23.4
    triethyl phosphate 86.79
    4-methyl-2-pentanol 45.18
    propionitrile 137.11
    vinylene carbonate 351.81
    1,1,2-trichlorotrifluoroethane 402.23
    DMS 150.29
    cumene 42.29
    2-octanol 24.35
    2-hexanone 142.67
    octyl acetate 58.16
    limonene 65.18
    1,2-dimethoxyethane 272.53
    ethyl orthosilicate 79.93
    tributyl phosphate 53.02
    diacetone alcohol 143.21
    N,N-dimethylaniline 86.05
    acrylonitrile 179.01
    aniline 184.23
    1,3-propanediol 62.95
    bromobenzene 357.42
    dibromomethane 805.6
    1,1,2,2-tetrachloroethane 1088.62
    2-methyl-cyclohexyl acetate 117.36
    tetrabutyl urea 64.41
    diisobutyl methanol 37.52
    2-phenylethanol 94.9
    styrene 87.02
    dioctyl adipate 79.33
    dimethyl sulfate 270.38
    ethyl butyrate 166.9
    methyl lactate 109.8
    butyl lactate 97.24
    diethyl carbonate 120.06
    propanediol butyl ether 68.91
    triethyl orthoformate 119.26
    p-tert-butyltoluene 40.9
    methyl 4-tert-butylbenzoate 125.42
    morpholine 360.5
    tert-butylamine 40.46
    n-dodecanol 18.09
    dimethoxymethane 357.85
    ethylene carbonate 305.93
    cyrene 119.42
    2-ethoxyethyl acetate 186.08
    2-ethylhexyl acetate 147.81
    1,2,4-trichlorobenzene 329.47
    4-methylpyridine 320.59
    dibutyl ether 71.1
    2,6-dimethyl-4-heptanol 37.52
    DEF 320.94
    dimethyl isosorbide 223.27
    tetrachloroethylene 654.75
    eugenol 106.77
    triacetin 148.14
    span 80 74.5
    1,4-butanediol 28.16
    1,1-dichloroethane 632.79
    2-methyl-1-pentanol 65.49
    methyl formate 218.57
    2-methyl-1-butanol 80.05
    n-decane 6.51
    butyronitrile 130.86
    3,7-dimethyl-1-octanol 39.21
    1-chlorooctane 35.29
    1-chlorotetradecane 12.95
    n-nonane 5.83
    undecane 4.46
    tert-butylcyclohexane 11.11
    cyclooctane 9.77
    cyclopentanol 114.43
    tetrahydropyran 372.47
    tert-amyl methyl ether 97.73
    2,5,8-trioxanonane 187.1
    1-hexene 49.1
    2-isopropoxyethanol 95.95
    2,2,2-trifluoroethanol 98.21
    methyl butyrate 213.93

    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