Diphenhydramine Hydrochloride

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  • Identifiers

    CAS number
    147-24-0

    Molecular formula
    C17H22ClNO

    SMILES
    CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 52.97%
    Sweet 49.33%
    Floral 46.27%
    Rose 33.33%
    Bitter 28.88%
    Green 26.43%
    Almond 25.27%
    Balsamic 25.09%
    Earthy 23.35%
    Grapefruit 22.54%

     

    Flavor
    Green 44.37%
    Fruity 43.39%
    Floral 32.17%
    Earthy 29.92%
    Mild 27.15%
    Sweet 26.63%
    Herbal 24.14%
    Bitter 24.06%
    Waxy 23.31%
    Mushroom 22.83%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.83 (neutral)

    Molecular weight
    291.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Melting point expt.

    • 331 to 338 °F (NTP, 1992)

    Flash point

    • 156.47 ˚C est.

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992)
    • >43.8 [ug/mL] (The mean of the results at pH 7.4)

  • Synonyms

    • DIPHENHYDRAMINE HYDROCHLORIDE
    • 147-24-0
    • Diphenhydramine HCl
    • Allergival
    • Bendylate
    • Antitussive
    • Denydryl
    • Dibenil
    • Eldadryl
    • Fenylhist
    • Hydramine
    • Silphen
    • Beldin
    • Belix
    • Diphen
    • Diphenhydramine.HCl
    • Felben
    • Bena
    • Halbmond
    • Vicks Formula 44
    • Wehydryl
    • Resmin
    • Benzhydramine hydrochloride
    • Dimedrol hydrochloride
    • Banophen
    • Difenhydramine hydrochloride
    • Diphenylhydramine hydrochloride
    • SK-Diphenhydramine
    • Benadryl Preservative Free
    • 2-(Benzhydryloxy)-N,N-dimethylethylamine hydrochloride
    • NCI-C56075
    • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, hydrochloride
    • TC2D6JAD40
    • NSC-33299
    • 2-(Diphenylmethoxy)-N,N-dimethylethylamine hydrochloride
    • DTXSID4020537
    • Diphenydramine hydrochloride
    • beta-Dimethylaminoethyl benzhydryl ether hydrochloride
    • DTXCID20537
    • Diphenhydramine hydrochloride preservative free
    • alpha-Hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride
    • NSC33299
    • CHEBI:4637
    • 2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride
    • Diphenhist
    • Pharbedryl
    • Allergies
    • Aphenap
    • Benaldryl
    • Calmatrol
    • Dicopanol
    • Dreemon
    • Equaline
    • Histaprin
    • Histergan
    • Medinex
    • Naramin
    • Nightcalm
    • Sleepeze
    • Sleepia
    • Somnapure
    • Somnitabs
    • Zzzquil
    • Zzzsleep
    • Coltex
    • Fedril
    • Nytol
    • Sleep
    • Tixylix catarrh
    • Publix allergy
    • Leader Allergy
    • Medique Diphen
    • SleepEze minis
    • Sohmed Allergy
    • Allergy DyeFree
    • Conrx Allergy
    • Correct Dose
    • Itch Stopping
    • Ivy Treatment
    • Kids Allergy
    • Qdryl Allergy
    • Simply Sleep
    • Tecnu Calagel
    • Allergy Medicine
    • Benadryl Allergy
    • Betr sleep aid
    • Complete Allergy
    • Each Relief
    • Equaline Allergy
    • Gppe oral soln
    • Rest Simply
    • Sleep Tabs
    • Sleepeze Gelcaps
    • Sominex Max
    • Wal-dryl
    • leader anti itch
    • meijer anti-itch
    • wal dryl allergy
    • Aller-Ben
    • Geri Dryl
    • Wal-som
    • After Bite Xtra
    • Allergy Childrens
    • Anti Itch Cream
    • Diphenhydramine D
    • Itch Relief Gel
    • The Itch Eraser
    • Wal Dryl
    • Welly Calm Balm
    • Dye-free Allergy
    • NMNQuil
    • SleepAid Softgels
    • topcare anti itch
    • Wal-dryl Allergy
    • AXIM Allergy
    • AXIV Allergy
    • Circle K Allergy
    • Dye Free Allergy
    • Equate Anti Itch
    • Ez Nite Sleep
    • Rexall Sleep Aid
    • Shopko Anti-Itch
    • Wal-sleep Z
    • Benadryl Ultratabs
    • CVS Itch Relief
    • Dr Kids
    • equaline anti-itch
    • 147-24-0

  • Applications

    Diphenhydramine Hydrochloride (CAS 147-24-0) is primarily used as an active pharmaceutical ingredient in OTC antihistamine formulations; it also appears in topical dermatology preparations for itching and minor skin irritations; it is employed in veterinary medicinal products for analogous indications; and it serves as an intermediate in the industrial synthesis of related antihistamines and other pharmaceutical agents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.01
    methanol 226.71
    isopropanol 126.48
    water 3.24
    ethyl acetate 249.95
    n-propanol 208.69
    acetone 424.56
    n-butanol 195.37
    acetonitrile 252.7
    DMF 459.69
    toluene 139.16
    isobutanol 183.76
    1,4-dioxane 456.18
    methyl acetate 299.42
    THF 466.98
    2-butanone 283.47
    n-pentanol 145.26
    sec-butanol 135.42
    n-hexane 53.54
    ethylene glycol 97.78
    NMP 387.3
    cyclohexane 126.25
    DMSO 510.57
    n-butyl acetate 264.1
    n-octanol 61.87
    chloroform 2113.85
    n-propyl acetate 234.68
    acetic acid 646.81
    dichloromethane 1853.27
    cyclohexanone 505.4
    propylene glycol 115.29
    isopropyl acetate 144.41
    DMAc 412.54
    2-ethoxyethanol 266.84
    isopentanol 166.79
    n-heptane 42.99
    ethyl formate 296.99
    1,2-dichloroethane 1210.52
    n-hexanol 177.39
    2-methoxyethanol 335.94
    isobutyl acetate 177.68
    tetrachloromethane 227.81
    n-pentyl acetate 130.68
    transcutol 675.24
    n-heptanol 97.92
    ethylbenzene 95.39
    MIBK 133.2
    2-propoxyethanol 278.31
    tert-butanol 173.99
    MTBE 149.59
    2-butoxyethanol 199.26
    propionic acid 322.03
    o-xylene 113.32
    formic acid 211.02
    diethyl ether 206.79
    m-xylene 93.89
    p-xylene 136.68
    chlorobenzene 367.6
    dimethyl carbonate 149.65
    n-octane 17.02
    formamide 283.17
    cyclopentanone 521.84
    2-pentanone 214.64
    anisole 179.76
    cyclopentyl methyl ether 238.21
    gamma-butyrolactone 605.8
    1-methoxy-2-propanol 211.44
    pyridine 460.47
    3-pentanone 225.98
    furfural 607.7
    n-dodecane 11.43
    diethylene glycol 244.71
    diisopropyl ether 63.03
    tert-amyl alcohol 150.85
    acetylacetone 245.23
    n-hexadecane 12.72
    acetophenone 214.41
    methyl propionate 236.72
    isopentyl acetate 230.8
    trichloroethylene 1943.01
    n-nonanol 62.09
    cyclohexanol 236.51
    benzyl alcohol 187.67
    2-ethylhexanol 131.18
    isooctanol 91.03
    dipropyl ether 181.67
    1,2-dichlorobenzene 397.32
    ethyl lactate 148.99
    propylene carbonate 432.99
    n-methylformamide 263.26
    2-pentanol 113.85
    n-pentane 41.01
    1-propoxy-2-propanol 202.6
    1-methoxy-2-propyl acetate 220.16
    2-(2-methoxypropoxy) propanol 156.34
    mesitylene 69.06
    ε-caprolactone 407.65
    p-cymene 84.28
    epichlorohydrin 785.22
    1,1,1-trichloroethane 746.64
    2-aminoethanol 155.92
    morpholine-4-carbaldehyde 388.31
    sulfolane 679.66
    2,2,4-trimethylpentane 29.88
    2-methyltetrahydrofuran 312.0
    n-hexyl acetate 153.58
    isooctane 17.03
    2-(2-butoxyethoxy)ethanol 222.56
    sec-butyl acetate 144.09
    tert-butyl acetate 153.41
    decalin 48.87
    glycerin 181.6
    diglyme 473.47
    acrylic acid 355.9
    isopropyl myristate 69.44
    n-butyric acid 396.22
    acetyl acetate 224.13
    di(2-ethylhexyl) phthalate 85.61
    ethyl propionate 178.01
    nitromethane 756.0
    1,2-diethoxyethane 240.35
    benzonitrile 225.11
    trioctyl phosphate 60.23
    1-bromopropane 440.97
    gamma-valerolactone 563.71
    n-decanol 49.44
    triethyl phosphate 134.06
    4-methyl-2-pentanol 79.31
    propionitrile 206.85
    vinylene carbonate 440.85
    1,1,2-trichlorotrifluoroethane 760.97
    DMS 189.19
    cumene 81.61
    2-octanol 52.05
    2-hexanone 188.0
    octyl acetate 86.72
    limonene 122.02
    1,2-dimethoxyethane 395.15
    ethyl orthosilicate 123.7
    tributyl phosphate 83.24
    diacetone alcohol 173.51
    N,N-dimethylaniline 135.17
    acrylonitrile 268.59
    aniline 216.01
    1,3-propanediol 198.86
    bromobenzene 375.53
    dibromomethane 1125.12
    1,1,2,2-tetrachloroethane 1716.61
    2-methyl-cyclohexyl acetate 191.29
    tetrabutyl urea 96.8
    diisobutyl methanol 78.54
    2-phenylethanol 170.44
    styrene 129.56
    dioctyl adipate 123.13
    dimethyl sulfate 246.08
    ethyl butyrate 212.21
    methyl lactate 162.2
    butyl lactate 134.71
    diethyl carbonate 178.61
    propanediol butyl ether 137.67
    triethyl orthoformate 173.88
    p-tert-butyltoluene 77.11
    methyl 4-tert-butylbenzoate 170.22
    morpholine 471.18
    tert-butylamine 126.89
    n-dodecanol 41.85
    dimethoxymethane 264.32
    ethylene carbonate 376.22
    cyrene 185.97
    2-ethoxyethyl acetate 186.58
    2-ethylhexyl acetate 188.8
    1,2,4-trichlorobenzene 425.79
    4-methylpyridine 317.73
    dibutyl ether 112.58
    2,6-dimethyl-4-heptanol 78.54
    DEF 264.14
    dimethyl isosorbide 280.67
    tetrachloroethylene 1106.34
    eugenol 162.59
    triacetin 196.0
    span 80 138.49
    1,4-butanediol 113.94
    1,1-dichloroethane 805.16
    2-methyl-1-pentanol 138.48
    methyl formate 297.03
    2-methyl-1-butanol 173.79
    n-decane 18.69
    butyronitrile 204.35
    3,7-dimethyl-1-octanol 75.53
    1-chlorooctane 71.51
    1-chlorotetradecane 31.76
    n-nonane 18.47
    undecane 13.94
    tert-butylcyclohexane 40.75
    cyclooctane 36.41
    cyclopentanol 198.41
    tetrahydropyran 417.45
    tert-amyl methyl ether 123.92
    2,5,8-trioxanonane 297.69
    1-hexene 127.68
    2-isopropoxyethanol 185.46
    2,2,2-trifluoroethanol 304.91
    methyl butyrate 271.78

    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