Hexetidine

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  • Identifiers

    CAS number
    141-94-6

    Molecular formula
    C21H45N3

    SMILES
    CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 50.41%
    Cheesy 35.8%
    Animal 33.65%
    Oily 30.26%
    Ripe 30.02%
    Odorless 23.5%
    Mint 23.42%
    Cooling 22.71%
    Fresh 22.7%
    Meaty 22.61%

     

    Flavor
    Mild 23.23%
    Bland 22.58%
    Herbal 20.98%
    Delicate 20.51%
    Cedarleaf 20.5%
    Syrup 19.89%
    Slightly waxy 19.85%
    Diterpene 19.81%
    Sandalwood 19.79%
    Green pepper 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.9 (neutral)

    Molecular weight
    339.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • Freezing point = 70 °C

    Boiling point

    • 160 °C at 0.4 mm Hg

    Flash point

    • 183.94 ˚C est.

    Solubility expt.

    • Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform

  • Synonyms

    • hexetidine
    • 141-94-6
    • Oraldene
    • Sterisil
    • Hexoral
    • Hextril
    • Elsix
    • Hexetidina
    • Hexetidinum
    • 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
    • Hexigel
    • NSC-17764
    • 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine
    • Esetidina
    • DTXSID1045297
    • 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
    • 852A84Y8LS
    • DTXCID9025297
    • Duranil
    • Oraldine
    • Steri-sol
    • RefChem:389045
    • A01AB12
    • G01AX16
    • 205-513-5
    • Glypesin
    • Sterilate
    • Triocil
    • Triscol
    • Collu hextril
    • Duranil Aerosol
    • Steri/Sol
    • NSC 17764
    • 1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidin-5-amine
    • MLS002207232
    • 5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine
    • Hexetidine (INN)
    • MFCD00010428
    • Drossadin
    • Oraseptic
    • Paradenyl
    • Hexetidine 100 microg/mL in Acetonitrile
    • Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
    • HEXETIDINE [INN]
    • Collu-Hextril
    • C21H45N3
    • Steri/Sol (VAN)
    • Caswell No. 033BB
    • Hexetidinum [INN-Latin]
    • Hexetidina [INN-Spanish]
    • Hexetidine [INN:BAN]
    • SR-01000872662
    • EINECS 205-513-5
    • Hexetidin
    • Hexocil
    • UNII-852A84Y8LS
    • 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazaperhydroine-5-ylamine
    • AI3-15546
    • Hexetidine CRS
    • P 252
    • Hexetidine; 1,3-bis(2-ethylhexyl)]-5-methylhexahydropyrimidin-5-amine
    • HSDB 7828
    • NCGC00016404-01
    • CAS-141-94-6
    • Prestwick_800
    • Hexetidine (Standard)
    • Spectrum_000236
    • 1,3-Bis(2-ethylhexyl)-5-amino-hexahydro-5-methylpyrimidin
    • HEXETIDINE [MI]
    • Prestwick0_000551
    • Prestwick1_000551
    • Prestwick2_000551
    • Prestwick3_000551
    • Spectrum2_000953
    • Spectrum3_000271
    • Spectrum4_000395
    • Spectrum5_001435
    • HEXETIDINE [HSDB]
    • HEXETIDINE [MART.]
    • HEXETIDINE [WHO-DD]
    • SCHEMBL56672
    • BSPBio_000621
    • BSPBio_001742
    • KBioGR_000949
    • KBioSS_000716
    • DivK1c_000280
    • SPECTRUM1500633
    • SPBio_000946
    • SPBio_002542
    • BPBio1_000685
    • CHEMBL144673
    • orb1310717
    • CHEBI:94339
    • HMS500N22
    • HY-B0996R
    • KBio1_000280
    • KBio2_000716
    • KBio2_003284
    • KBio2_005852
    • KBio3_001242
    • 1,3-Bis(2-ethylhexyl)-5-methylhexahydro-5-pyrimidinamine
    • 1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidiamine
    • 5-Amino-1,3-bis(2-ethylhexyl)-5-methyl-hexhydropyrimidine
    • HEXETIDINE [EP MONOGRAPH]
    • NINDS_000280
    • HMS1569P03
    • HMS1921M09
    • HMS2096P03
    • HMS3713P03
    • HMS5085M18
    • Pharmakon1600-01500633
    • HY-B0996
    • NSC17764
    • Tox21_110424
    • CCG-39752
    • EBC-26655
    • MSK159144
    • NSC757394
    • s6408
    • SBB001384
    • AKOS000277944
    • AKOS024348907
    • Tox21_110424_1
    • CS-4490
    • DB08958
    • NSC-757394
    • 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine, mix of diastereomers
    • 141-94-6

  • Applications

    Hexetidine (CAS 141-94-6) is an antiseptic agent used primarily in oral care and topical antiseptic products. In cosmetics/personal care and pharmaceuticals, it serves as an active antiseptic ingredient in mouth rinses, gargles, and throat sprays designed to reduce microbial load on oral mucosa. It is also formulated as topical antiseptic solutions for skin and mucous membranes (creams, liquids, and sprays). Additionally, hexetidine can be used in denture cleaning formulations and related oral hygiene products. In healthcare cleaning contexts, its antimicrobial activity may be leveraged in select surface or equipment cleaners where permitted by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 938.05
    methanol 801.63
    isopropanol 766.29
    water 7.22
    ethyl acetate 1748.35
    n-propanol 1045.3
    acetone 1514.25
    n-butanol 1203.42
    acetonitrile 540.88
    DMF 1091.28
    toluene 591.37
    isobutanol 1062.05
    1,4-dioxane 1413.36
    methyl acetate 1258.23
    THF 2169.11
    2-butanone 1285.55
    n-pentanol 700.66
    sec-butanol 901.44
    n-hexane 119.15
    ethylene glycol 181.63
    NMP 1948.02
    cyclohexane 397.22
    DMSO 1383.17
    n-butyl acetate 2355.31
    n-octanol 506.5
    chloroform 4111.47
    n-propyl acetate 1391.55
    acetic acid 3261.62
    dichloromethane 3017.17
    cyclohexanone 2975.98
    propylene glycol 361.76
    isopropyl acetate 1678.84
    DMAc 1590.68
    2-ethoxyethanol 945.26
    isopentanol 1248.64
    n-heptane 162.28
    ethyl formate 1448.5
    1,2-dichloroethane 2019.34
    n-hexanol 1128.24
    2-methoxyethanol 1352.28
    isobutyl acetate 1237.19
    tetrachloromethane 1164.07
    n-pentyl acetate 1562.01
    transcutol 2733.59
    n-heptanol 759.03
    ethylbenzene 270.75
    MIBK 1078.71
    2-propoxyethanol 1451.25
    tert-butanol 1079.68
    MTBE 1238.84
    2-butoxyethanol 1412.38
    propionic acid 1753.38
    o-xylene 540.04
    formic acid 744.71
    diethyl ether 815.27
    m-xylene 541.68
    p-xylene 494.69
    chlorobenzene 1156.46
    dimethyl carbonate 629.81
    n-octane 58.67
    formamide 621.54
    cyclopentanone 2499.65
    2-pentanone 1284.88
    anisole 423.18
    cyclopentyl methyl ether 1616.76
    gamma-butyrolactone 2969.19
    1-methoxy-2-propanol 1107.59
    pyridine 1162.67
    3-pentanone 1147.4
    furfural 2275.26
    n-dodecane 31.77
    diethylene glycol 753.68
    diisopropyl ether 467.85
    tert-amyl alcohol 1279.67
    acetylacetone 1793.65
    n-hexadecane 37.45
    acetophenone 730.65
    methyl propionate 1226.8
    isopentyl acetate 2361.42
    trichloroethylene 3814.99
    n-nonanol 470.84
    cyclohexanol 1683.59
    benzyl alcohol 561.76
    2-ethylhexanol 958.73
    isooctanol 696.52
    dipropyl ether 891.47
    1,2-dichlorobenzene 1176.92
    ethyl lactate 679.55
    propylene carbonate 2427.68
    n-methylformamide 859.29
    2-pentanol 903.4
    n-pentane 140.26
    1-propoxy-2-propanol 1448.28
    1-methoxy-2-propyl acetate 1952.31
    2-(2-methoxypropoxy) propanol 801.77
    mesitylene 403.13
    ε-caprolactone 2970.71
    p-cymene 441.6
    epichlorohydrin 2528.9
    1,1,1-trichloroethane 2646.43
    2-aminoethanol 464.48
    morpholine-4-carbaldehyde 1785.94
    sulfolane 3354.82
    2,2,4-trimethylpentane 166.84
    2-methyltetrahydrofuran 2034.52
    n-hexyl acetate 1440.99
    isooctane 91.81
    2-(2-butoxyethoxy)ethanol 1188.81
    sec-butyl acetate 1177.67
    tert-butyl acetate 1809.71
    decalin 151.83
    glycerin 522.45
    diglyme 2209.84
    acrylic acid 1398.46
    isopropyl myristate 422.59
    n-butyric acid 3309.89
    acetyl acetate 1833.86
    di(2-ethylhexyl) phthalate 491.91
    ethyl propionate 976.11
    nitromethane 2685.84
    1,2-diethoxyethane 1063.28
    benzonitrile 731.79
    trioctyl phosphate 431.16
    1-bromopropane 1118.82
    gamma-valerolactone 3320.48
    n-decanol 325.73
    triethyl phosphate 725.5
    4-methyl-2-pentanol 638.41
    propionitrile 633.7
    vinylene carbonate 1898.58
    1,1,2-trichlorotrifluoroethane 2745.13
    DMS 968.55
    cumene 268.6
    2-octanol 456.91
    2-hexanone 943.8
    octyl acetate 610.08
    limonene 768.08
    1,2-dimethoxyethane 1200.88
    ethyl orthosilicate 770.94
    tributyl phosphate 543.85
    diacetone alcohol 1429.09
    N,N-dimethylaniline 350.86
    acrylonitrile 617.89
    aniline 864.04
    1,3-propanediol 900.58
    bromobenzene 1117.56
    dibromomethane 2166.67
    1,1,2,2-tetrachloroethane 3490.01
    2-methyl-cyclohexyl acetate 1208.94
    tetrabutyl urea 540.99
    diisobutyl methanol 503.21
    2-phenylethanol 703.17
    styrene 310.03
    dioctyl adipate 654.13
    dimethyl sulfate 1093.54
    ethyl butyrate 1495.09
    methyl lactate 774.24
    butyl lactate 1260.76
    diethyl carbonate 897.67
    propanediol butyl ether 908.56
    triethyl orthoformate 1229.19
    p-tert-butyltoluene 425.04
    methyl 4-tert-butylbenzoate 944.24
    morpholine 1651.93
    tert-butylamine 654.87
    n-dodecanol 232.25
    dimethoxymethane 925.88
    ethylene carbonate 1998.91
    cyrene 691.65
    2-ethoxyethyl acetate 1635.41
    2-ethylhexyl acetate 1940.09
    1,2,4-trichlorobenzene 1549.61
    4-methylpyridine 1278.4
    dibutyl ether 562.03
    2,6-dimethyl-4-heptanol 503.21
    DEF 1492.96
    dimethyl isosorbide 1265.03
    tetrachloroethylene 2687.71
    eugenol 688.39
    triacetin 1355.7
    span 80 838.09
    1,4-butanediol 388.36
    1,1-dichloroethane 1916.09
    2-methyl-1-pentanol 830.44
    methyl formate 937.75
    2-methyl-1-butanol 1231.1
    n-decane 65.58
    butyronitrile 865.96
    3,7-dimethyl-1-octanol 574.05
    1-chlorooctane 383.37
    1-chlorotetradecane 114.83
    n-nonane 63.71
    undecane 43.13
    tert-butylcyclohexane 135.54
    cyclooctane 130.53
    cyclopentanol 1399.05
    tetrahydropyran 1836.86
    tert-amyl methyl ether 1054.6
    2,5,8-trioxanonane 1171.01
    1-hexene 297.39
    2-isopropoxyethanol 833.91
    2,2,2-trifluoroethanol 1519.11
    methyl butyrate 1435.11

    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