Chlorhexidine Hydrochloride

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  • Identifiers

    CAS number
    3697-42-5

    Molecular formula
    C22H32Cl4N10

    SMILES
    C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 39.83%
    Meaty 37.7%
    Fishy 35.18%
    Savory 33.03%
    Cheesy 29.54%
    Ripe 26.77%
    Animal 26.24%
    Cooked 25.99%
    Cooling 25.67%
    Roasted 20.41%

     

    Flavor
    Bitter 56.21%
    Odorless 37.27%
    Mild 24.62%
    Bland 24.6%
    Nitrile 21.09%
    Roasted 19.67%
    Scallion 19.47%
    Very strong 19.18%
    Oriental 19.17%
    Sweet-like 18.93%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    8.91 (weak base)

    Molecular weight
    578.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    837°C

    Flash point

    • 277.78 ˚C est.

  • Synonyms

    • CHLORHEXIDINE HYDROCHLORIDE
    • Chlorhexidine dihydrochloride
    • 3697-42-5
    • Chlorhexidine HCl
    • Dantroche hibitane
    • AY-5312
    • E64XL9U38K
    • DTXSID7047144
    • NSC-756679
    • 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-, dihydrochloride
    • DTXCID5027144
    • Chlorhex hcl
    • 1,1'-Hexamethylenebis(5-(4-chlorophenyl)biguanide) dihydrochloride
    • 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] Dihydrochloride
    • Nolvasan Cap-Tabs
    • Nolvasan Suspension
    • RefChem:54790
    • Hydrochloride, Chlorhexidine
    • 223-026-6
    • Chlorhexidine (dihydrochloride)
    • Arlacide H
    • chlorhexidinedihydrochloride
    • N1,N14-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-Tetraazatetradecanediimidamide dihydrochloride
    • Caswell No. 481F
    • Chlorhexidinium dichloride
    • MFCD00068998
    • Chlorhexidine 2HCl
    • 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) dihydrochloride
    • 2,4,11,13-TEtraazatetradecanamide, 14-[(4-chlorophenyl)amino]-3,12,14-triimino
    • EINECS 223-026-6
    • EPA Pesticide Chemical Code 481700
    • UNII-E64XL9U38K
    • Dantroche hibitane (TN)
    • Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-, dihydrochloride
    • Chlorhexidine dihydrochloirde
    • Chlorhexidine hydrochloride [USAN:USP:BAN:JAN]
    • SPECTRUM1500177
    • CHEMBL1484251
    • CHEBI:31393
    • HY-B1145R
    • HMS1920M21
    • (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride
    • HY-B1145
    • Tox21_302689
    • 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide), dihydrochloride
    • CCG-38942
    • s3067
    • AKOS015895378
    • Chlorhexidine dihydrochloride, >=98%
    • AC-4684
    • CS-4749
    • EBC-147030
    • KS-5084
    • NSC 756679
    • Chlorhexidine hydrochloride (JP17/USP)
    • CHLORHEXIDINE HYDROCHLORIDE [JAN]
    • NCGC00094621-01
    • NCGC00094621-02
    • NCGC00256637-01
    • 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-, dihydrochloride
    • CHLORHEXIDINE DIHYDROCHLORIDE [MI]
    • CHLORHEXIDINE HYDROCHLORIDE [USAN]
    • CAS-3697-42-5
    • Chlorhexidine (dihydrochloride) (Standard)
    • CHLORHEXIDINE HYDROCHLORIDE [MART.]
    • CHLORHEXIDINE HYDROCHLORIDE [WHO-DD]
    • CHLORHEXIDINE DIHYDROCHLORIDE [WHO-IP]
    • CHLORHEXIDINE HYDROCHLORIDE [GREEN BOOK]
    • D01345
    • 697C425
    • CHLORHEXIDINE HYDROCHLORIDE [USP IMPURITY]
    • CHLORHEXIDINE HYDROCHLORIDE [USP MONOGRAPH]
    • CHLORHEXIDINE DIHYDROCHLORIDE [EP MONOGRAPH]
    • 1,1'-HEXAMETHYLENEBIS(5-(P-CHLOROPHENYL)BIGUANIDE)DIHYDROCHLORIDE
    • 2,4,11,13-TEtraazatetradecanamide,14-[(4-chlorophenyl)amino]-3,12,14-triimino
    • Chlorhexidine dihydrochloride, European Pharmacopoeia (EP) Reference Standard
    • Chlorhexidine Hydrochloride, Pharmaceutical Secondary Standard; Certified Reference Material
    • N,N''''-Hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide]--hydrogen chloride (1/2)
    • N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide dihydrochloride
    • 3697-42-5

  • Applications

    Chlorhexidine Hydrochloride (CAS 3697-42-5) is a cationic bisbiguanide antiseptic widely used as a disinfectant and antimicrobial in healthcare and consumer products. In pharmaceuticals and wound care, it appears in topical solutions, gels, and preoperative skin preparations. In dentistry, it is used in mouthrinses and dental formulations to control oral microbial load. In cosmetics and personal care, it may be included as an antiseptic ingredient in cleansing and hand-care products. In household and industrial cleaning, it serves as an antimicrobial active ingredient in surface cleaners and disinfectants. In coatings and polymers, it can be added to antimicrobial coatings and polymer formulations to inhibit microbial growth on surfaces and devices. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.43
    methanol 6.46
    isopropanol 1.29
    water 0.07
    ethyl acetate 0.99
    n-propanol 2.96
    acetone 2.35
    n-butanol 1.89
    acetonitrile 0.36
    DMF 57.23
    toluene 0.48
    isobutanol 1.41
    1,4-dioxane 2.09
    methyl acetate 1.57
    THF 13.75
    2-butanone 3.46
    n-pentanol 1.15
    sec-butanol 1.52
    n-hexane 0.03
    ethylene glycol 2.21
    NMP 53.62
    cyclohexane 0.03
    DMSO 31.15
    n-butyl acetate 0.91
    n-octanol 0.36
    chloroform 6.61
    n-propyl acetate 1.04
    acetic acid 7.26
    dichloromethane 4.72
    cyclohexanone 5.4
    propylene glycol 5.21
    isopropyl acetate 0.57
    DMAc 57.54
    2-ethoxyethanol 6.54
    isopentanol 0.88
    n-heptane 0.03
    ethyl formate 2.75
    1,2-dichloroethane 1.88
    n-hexanol 0.53
    2-methoxyethanol 18.84
    isobutyl acetate 0.54
    tetrachloromethane 0.62
    n-pentyl acetate 1.06
    transcutol 6.84
    n-heptanol 0.56
    ethylbenzene 0.16
    MIBK 0.69
    2-propoxyethanol 5.72
    tert-butanol 0.63
    MTBE 0.36
    2-butoxyethanol 4.04
    propionic acid 4.55
    o-xylene 0.25
    formic acid 11.24
    diethyl ether 0.47
    m-xylene 0.2
    p-xylene 0.24
    chlorobenzene 0.64
    dimethyl carbonate 3.25
    n-octane 0.01
    formamide 12.9
    cyclopentanone 14.94
    2-pentanone 1.89
    anisole 0.64
    cyclopentyl methyl ether 1.89
    gamma-butyrolactone 16.72
    1-methoxy-2-propanol 10.46
    pyridine 4.87
    3-pentanone 1.62
    furfural 16.8
    n-dodecane 0.01
    diethylene glycol 4.78
    diisopropyl ether 0.06
    tert-amyl alcohol 0.91
    acetylacetone 2.33
    n-hexadecane 0.01
    acetophenone 1.43
    methyl propionate 2.74
    isopentyl acetate 0.69
    trichloroethylene 7.44
    n-nonanol 0.38
    cyclohexanol 1.12
    benzyl alcohol 1.82
    2-ethylhexanol 0.28
    isooctanol 0.35
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.65
    ethyl lactate 2.2
    propylene carbonate 5.96
    n-methylformamide 16.06
    2-pentanol 0.61
    n-pentane 0.03
    1-propoxy-2-propanol 3.48
    1-methoxy-2-propyl acetate 2.33
    2-(2-methoxypropoxy) propanol 3.13
    mesitylene 0.08
    ε-caprolactone 5.56
    p-cymene 0.1
    epichlorohydrin 12.98
    1,1,1-trichloroethane 1.11
    2-aminoethanol 5.19
    morpholine-4-carbaldehyde 24.73
    sulfolane 37.57
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.0
    n-hexyl acetate 0.92
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.73
    sec-butyl acetate 0.49
    tert-butyl acetate 0.52
    decalin 0.01
    glycerin 12.36
    diglyme 8.01
    acrylic acid 6.21
    isopropyl myristate 0.23
    n-butyric acid 4.68
    acetyl acetate 0.63
    di(2-ethylhexyl) phthalate 0.74
    ethyl propionate 1.02
    nitromethane 8.88
    1,2-diethoxyethane 0.97
    benzonitrile 0.83
    trioctyl phosphate 0.52
    1-bromopropane 0.78
    gamma-valerolactone 26.63
    n-decanol 0.23
    triethyl phosphate 0.84
    4-methyl-2-pentanol 0.22
    propionitrile 0.71
    vinylene carbonate 6.15
    1,1,2-trichlorotrifluoroethane 31.88
    DMS 1.24
    cumene 0.1
    2-octanol 0.27
    2-hexanone 1.36
    octyl acetate 0.46
    limonene 0.14
    1,2-dimethoxyethane 6.94
    ethyl orthosilicate 0.73
    tributyl phosphate 0.61
    diacetone alcohol 2.29
    N,N-dimethylaniline 0.7
    acrylonitrile 1.56
    aniline 1.84
    1,3-propanediol 6.19
    bromobenzene 0.45
    dibromomethane 1.92
    1,1,2,2-tetrachloroethane 7.06
    2-methyl-cyclohexyl acetate 0.75
    tetrabutyl urea 1.11
    diisobutyl methanol 0.1
    2-phenylethanol 0.97
    styrene 0.21
    dioctyl adipate 0.69
    dimethyl sulfate 10.9
    ethyl butyrate 0.91
    methyl lactate 6.76
    butyl lactate 2.47
    diethyl carbonate 0.65
    propanediol butyl ether 4.01
    triethyl orthoformate 1.12
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 2.0
    morpholine 6.26
    tert-butylamine 0.2
    n-dodecanol 0.15
    dimethoxymethane 11.67
    ethylene carbonate 3.49
    cyrene 6.66
    2-ethoxyethyl acetate 2.13
    2-ethylhexyl acetate 0.55
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 3.04
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.1
    DEF 5.66
    dimethyl isosorbide 4.93
    tetrachloroethylene 4.41
    eugenol 2.71
    triacetin 1.68
    span 80 2.63
    1,4-butanediol 1.83
    1,1-dichloroethane 1.22
    2-methyl-1-pentanol 0.72
    methyl formate 9.36
    2-methyl-1-butanol 1.35
    n-decane 0.02
    butyronitrile 0.72
    3,7-dimethyl-1-octanol 0.19
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.8
    tetrahydropyran 1.57
    tert-amyl methyl ether 0.52
    2,5,8-trioxanonane 4.63
    1-hexene 0.18
    2-isopropoxyethanol 2.61
    2,2,2-trifluoroethanol 4.82
    methyl butyrate 1.91

    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