Benzethonium Chloride

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  • Identifiers

    CAS number
    121-54-0

    Molecular formula
    C27H42ClNO2

    SMILES
    CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 76.47%
    Green 58.46%
    Woody 54.53%
    Rose 45.15%
    Lily 37.14%
    Muguet 33.51%
    Fresh 32.41%
    Dry 31.27%
    Fruity 30.89%
    Vetiver 30.31%

     

    Flavor
    Green 47.25%
    Floral 40.24%
    Mild 33.36%
    Earthy 24.32%
    Bitter 24.02%
    Oily 22.48%
    Woody 22.13%
    Musty 21.94%
    Waxy 21.85%
    Leaf 21.3%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.82 (neutral)

    Molecular weight
    448.1 g/mol

    Melting point expt.

    • 327 to 331 °F (NTP, 1992)
    • 164-166 °C (HOT STAGE)
    • EUTECTIC TEMP: PHENANTHRENE 86 °C; BENZANTHRENE 98 °C
    • 160-165 °C

    Flash point

    • 82.1 ˚C est.

    Solubility expt.

    • 10 to 50 mg/mL at 64 °F (NTP, 1992)
    • VERY SOL IN WATER GIVING FOAMY, SOAPY SOLN; SOL IN ALC, ACETONE, CHLOROFORM
    • SLIGHTLY SOL IN ETHER
    • Solubility in water: very good

  • Synonyms

    • benzethonium chloride
    • 121-54-0
    • Hyamine
    • Phemeride
    • Benzethoniumchloride
    • Phemerol Chloride
    • Quatrachlor
    • Disilyn
    • Kylacol
    • Phemithyn
    • Diapp
    • Hyamine 1622
    • Chlorure de benzethonium
    • Benzetonium chloride
    • Antiseptol
    • Banagerm
    • Inactisol
    • Phemerol
    • Sanizol
    • Anti-germ 77
    • Benzethonii chloridum
    • Neostelin green
    • Cloruro de benzetonio
    • Benzetonio cloruro
    • Benzethoni chloridum
    • Microklenz
    • Benzethonium chloride 1622
    • Formula 144
    • Phemersol chloride
    • NSC-20200
    • p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride
    • cloruro de bencetonio
    • DTXSID6023810
    • Antiseptol (quarternary compound)
    • NCI-C61494
    • Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride
    • Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride
    • PH41D05744
    • DTXCID203810
    • CHEBI:31264
    • p-Diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride
    • (2-(2-(4-Diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium chloride
    • NSC20200
    • Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride
    • Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride
    • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
    • Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride
    • Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
    • Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride
    • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride (1:1)
    • N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride
    • Antisepation
    • Unicowipes
    • Dermatize
    • Neutrogel
    • Ovation
    • Perifoam
    • Septicare
    • Wound Cleanser
    • Bedside-Care
    • Mada Medical
    • Simply Saline
    • Anti-Fungus
    • [2-[2-(4-Diisobutylphenoxy)ethoxy]ethyl]dimethylbenzylammonium chloride
    • {2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride
    • Handi-San
    • Veti-Foam
    • Touch Free Hand
    • New Skin Bandage
    • Puri-San Plus
    • benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride
    • benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride
    • Bedside-Care Foam
    • Saline Wound Wash
    • Eco Bandage SAND
    • Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
    • N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride
    • XtraCare Wet Wipes
    • ZylastXP Antiseptic
    • Bencetonium Chloride
    • Eco Bandage HONEY
    • Eco Bandage MOCHA
    • Eco Bandage OCEAN
    • CLEAR S Suds
    • Insti-Foam Sanitizer
    • Sterilized Wet Wipes
    • Chloride, Bencetonium
    • Zylast XP Antiseptic
    • Antiseptic Wound Care
    • benzAthonium (cation)
    • Dermal Wound Cleanser
    • Securo Hand Sanitizer
    • Chloride, Benzethonium
    • A-Cute Derm B-Kleer
    • LeGear Lanolized Udder
    • CA-REZZ NORISC
    • Charm-Tex Antibacterial
    • RefChem:5587
    • Dial Foaming Hand Wash
    • Eco Bandage HIBISCUS
    • MicroKlenz Antimicrobial
    • HAND-E-FOAM
    • TotalDry Sensitive Wash
    • Sani Guard Alcohol Free
    • AMERFRESH Antibacterial
    • A-Cute Derm Antisepation
    • Simply Saline Wound Care
    • Antimicrobial cleansing gel
    • Bedside-Care Perineal Wash
    • CVS Antiseptic Wound Wash
    • Loesch Original Kleer-Plex
    • Monk Hand Sanitizing Wipes
    • Benzethonium chloride liquid
    • (Qiqing) Skin Disinfectant
    • ANTIMICROBIAL FOAMING
    • ZylastXP Antiseptic Foaming
    • Mada Medical Foam Sanitizer
    • Secura Moisturizing Cleanser
    • Certus Secure Hand Sanitizer
    • Dial Antibacterial Hand Wash
    • Zylast XP Antiseptic Foaming
    • Ben E. Keith Foam Sanitizer
    • Benzethonium Chloride 0.13%
    • DermaCen Antimicrobial-B Hand
    • Ovation Instant Hand Sanitizer
    • AVANCE INCONTINENCE CARE
    • QS Plus Hand Sanitizing Wipes
    • 121-54-0

  • Applications

    Benzethonium chloride, CAS 121-54-0, is a quaternary ammonium surfactant with antimicrobial properties used as a disinfectant and sanitizer in household and industrial cleaning formulations; it also serves as an antimicrobial additive in cosmetics and personal care products (hand washes, soaps, lotions); as an antimicrobial additive in coatings, inks, and polymer-based packaging to help maintain hygienic surfaces; it is used in healthcare and food-processing environments for surface disinfection and sanitization of equipment; and it may function as an active ingredient in topical antiseptic pharmaceutical products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 306.44
    methanol 315.34
    isopropanol 152.01
    water 1.6
    ethyl acetate 519.27
    n-propanol 312.31
    acetone 466.9
    n-butanol 262.56
    acetonitrile 177.69
    DMF 491.78
    toluene 332.07
    isobutanol 245.1
    1,4-dioxane 504.03
    methyl acetate 413.23
    THF 903.14
    2-butanone 477.83
    n-pentanol 239.74
    sec-butanol 210.58
    n-hexane 37.44
    ethylene glycol 35.54
    NMP 669.86
    cyclohexane 77.11
    DMSO 414.52
    n-butyl acetate 371.49
    n-octanol 131.52
    chloroform 1919.18
    n-propyl acetate 416.38
    acetic acid 582.63
    dichloromethane 1781.94
    cyclohexanone 827.43
    propylene glycol 72.55
    isopropyl acetate 383.67
    DMAc 732.63
    2-ethoxyethanol 437.12
    isopentanol 224.45
    n-heptane 50.92
    ethyl formate 339.48
    1,2-dichloroethane 932.69
    n-hexanol 239.76
    2-methoxyethanol 454.77
    isobutyl acetate 365.94
    tetrachloromethane 234.82
    n-pentyl acetate 344.85
    transcutol 818.43
    n-heptanol 173.39
    ethylbenzene 146.86
    MIBK 331.1
    2-propoxyethanol 425.59
    tert-butanol 171.55
    MTBE 297.71
    2-butoxyethanol 337.47
    propionic acid 320.45
    o-xylene 190.76
    formic acid 191.95
    diethyl ether 375.26
    m-xylene 229.15
    p-xylene 193.73
    chlorobenzene 439.75
    dimethyl carbonate 231.82
    n-octane 16.66
    formamide 208.67
    cyclopentanone 758.43
    2-pentanone 470.25
    anisole 260.67
    cyclopentyl methyl ether 645.44
    gamma-butyrolactone 829.22
    1-methoxy-2-propanol 351.56
    pyridine 515.23
    3-pentanone 421.98
    furfural 577.67
    n-dodecane 7.62
    diethylene glycol 205.96
    diisopropyl ether 130.16
    tert-amyl alcohol 222.94
    acetylacetone 504.68
    n-hexadecane 8.92
    acetophenone 291.6
    methyl propionate 511.18
    isopentyl acetate 365.22
    trichloroethylene 1633.52
    n-nonanol 124.38
    cyclohexanol 330.45
    benzyl alcohol 235.48
    2-ethylhexanol 192.24
    isooctanol 158.62
    dipropyl ether 305.66
    1,2-dichlorobenzene 382.96
    ethyl lactate 193.54
    propylene carbonate 485.03
    n-methylformamide 312.15
    2-pentanol 173.82
    n-pentane 34.41
    1-propoxy-2-propanol 316.81
    1-methoxy-2-propyl acetate 421.1
    2-(2-methoxypropoxy) propanol 219.66
    mesitylene 125.29
    ε-caprolactone 746.06
    p-cymene 123.41
    epichlorohydrin 1165.18
    1,1,1-trichloroethane 766.67
    2-aminoethanol 115.76
    morpholine-4-carbaldehyde 558.74
    sulfolane 745.57
    2,2,4-trimethylpentane 33.39
    2-methyltetrahydrofuran 692.47
    n-hexyl acetate 350.97
    isooctane 19.63
    2-(2-butoxyethoxy)ethanol 298.28
    sec-butyl acetate 305.39
    tert-butyl acetate 404.64
    decalin 38.4
    glycerin 106.94
    diglyme 639.14
    acrylic acid 266.51
    isopropyl myristate 101.12
    n-butyric acid 534.4
    acetyl acetate 354.11
    di(2-ethylhexyl) phthalate 118.3
    ethyl propionate 348.81
    nitromethane 701.4
    1,2-diethoxyethane 334.18
    benzonitrile 240.88
    trioctyl phosphate 83.93
    1-bromopropane 536.45
    gamma-valerolactone 983.19
    n-decanol 73.93
    triethyl phosphate 164.3
    4-methyl-2-pentanol 129.11
    propionitrile 207.53
    vinylene carbonate 475.02
    1,1,2-trichlorotrifluoroethane 809.55
    DMS 248.41
    cumene 109.53
    2-octanol 109.55
    2-hexanone 350.16
    octyl acetate 140.25
    limonene 201.18
    1,2-dimethoxyethane 565.65
    ethyl orthosilicate 175.22
    tributyl phosphate 99.78
    diacetone alcohol 333.92
    N,N-dimethylaniline 185.81
    acrylonitrile 220.93
    aniline 301.8
    1,3-propanediol 184.63
    bromobenzene 480.63
    dibromomethane 1089.88
    1,1,2,2-tetrachloroethane 1301.74
    2-methyl-cyclohexyl acetate 283.69
    tetrabutyl urea 120.59
    diisobutyl methanol 93.57
    2-phenylethanol 229.85
    styrene 164.58
    dioctyl adipate 157.47
    dimethyl sulfate 357.57
    ethyl butyrate 342.06
    methyl lactate 212.7
    butyl lactate 233.32
    diethyl carbonate 195.61
    propanediol butyl ether 196.01
    triethyl orthoformate 269.26
    p-tert-butyltoluene 115.96
    methyl 4-tert-butylbenzoate 266.36
    morpholine 655.79
    tert-butylamine 109.43
    n-dodecanol 47.36
    dimethoxymethane 547.19
    ethylene carbonate 434.43
    cyrene 236.84
    2-ethoxyethyl acetate 411.63
    2-ethylhexyl acetate 329.29
    1,2,4-trichlorobenzene 468.92
    4-methylpyridine 519.36
    dibutyl ether 162.89
    2,6-dimethyl-4-heptanol 93.57
    DEF 489.92
    dimethyl isosorbide 383.16
    tetrachloroethylene 806.17
    eugenol 215.2
    triacetin 366.49
    span 80 200.89
    1,4-butanediol 101.86
    1,1-dichloroethane 771.73
    2-methyl-1-pentanol 214.77
    methyl formate 306.29
    2-methyl-1-butanol 260.47
    n-decane 20.24
    butyronitrile 231.78
    3,7-dimethyl-1-octanol 121.29
    1-chlorooctane 117.5
    1-chlorotetradecane 27.3
    n-nonane 20.44
    undecane 11.39
    tert-butylcyclohexane 38.41
    cyclooctane 30.6
    cyclopentanol 283.39
    tetrahydropyran 695.65
    tert-amyl methyl ether 310.14
    2,5,8-trioxanonane 346.0
    1-hexene 135.32
    2-isopropoxyethanol 333.32
    2,2,2-trifluoroethanol 234.55
    methyl butyrate 451.66

    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