Homarine hydrochloride

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  • Identifiers

    CAS number
    3697-38-9

    Molecular formula
    C7H8ClNO2

    SMILES
    C[N+]1=CC=CC=C1C(=O)O.[Cl-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.36%
    Sweet 40.7%
    Floral 35.71%
    Animal 35.68%
    Honey 34.8%
    Nutty 33.94%
    Burnt 33.02%
    Odorless 32.35%
    Balsamic 31.82%
    Powdery 31.69%

     

    Flavor
    Phenolic 49.75%
    Odorless 44.98%
    Nutty 44.65%
    Mild 41.75%
    Faint 33.06%
    Sour 31.78%
    Balsam 27.88%
    Urine 25.41%
    Musty 25.23%
    Honey 25.0%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.43 (neutral)

    Molecular weight
    173.6 g/mol

    Flash point

    • 114.76 ˚C est.

  • Synonyms

    • 3697-38-9
    • HOMARINE HYDROCHLORIDE
    • Homarine HCl
    • 2-Carboxy-1-methylpyridinium chloride
    • AQUALANCE
    • 8866LNG61N
    • EINECS 223-025-0
    • 2-Carboxy-N-methylpyridinium chloride
    • NSC-329051
    • NSC 329051
    • Pyridinium, 2-carboxy-1-methyl-, chloride
    • PYRIDINIUM, 2-CARBOXY-1-METHYL-, CHLORIDE (1:1)
    • RefChem:788445
    • HOMARINE HCL [INCI]
    • 223-025-0
    • 2-CARBOXY-1-METHYLPYRIDIN-1-IUM CHLORIDE
    • 1-methylpyridin-1-ium-2-carboxylic acid;chloride
    • Hamarine hydrochloride
    • UNII-8866LNG61N
    • Pralidoxime Impurity 2
    • Pralidoxime Chloride Impurity 1
    • SCHEMBL11768005
    • NSC329051
    • FH07784
    • DS-003112
    • NS00047955
    • G65421
    • H-1000
    • Q27269896
    • 3697-38-9

  • Applications

    Homarine hydrochloride (CAS 3697-38-9) is a quaternary ammonium salt that is primarily encountered as a chemical intermediate for synthesizing more complex cationic amine compounds. In research and development, it can serve as a reagent and as a reference material for analytical methods. It may function as a cationic surfactant or phase-transfer catalyst in laboratory-scale organic reactions, and it can be evaluated for use in coatings, inks, or polymer formulations where a quaternary ammonium salt is advantageous, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.17
    methanol 88.59
    isopropanol 26.9
    water 49.47
    ethyl acetate 12.05
    n-propanol 37.58
    acetone 12.86
    n-butanol 24.22
    acetonitrile 13.03
    DMF 98.3
    toluene 5.68
    isobutanol 23.35
    1,4-dioxane 96.59
    methyl acetate 16.0
    THF 80.61
    2-butanone 16.56
    n-pentanol 22.25
    sec-butanol 22.33
    n-hexane 1.03
    ethylene glycol 69.93
    NMP 145.36
    cyclohexane 0.71
    DMSO 286.15
    n-butyl acetate 15.76
    n-octanol 14.4
    chloroform 19.4
    n-propyl acetate 9.05
    acetic acid 61.07
    dichloromethane 25.44
    cyclohexanone 47.32
    propylene glycol 23.32
    isopropyl acetate 8.15
    DMAc 59.82
    2-ethoxyethanol 65.66
    isopentanol 20.03
    n-heptane 1.68
    ethyl formate 18.74
    1,2-dichloroethane 28.32
    n-hexanol 35.1
    2-methoxyethanol 119.65
    isobutyl acetate 5.5
    tetrachloromethane 6.98
    n-pentyl acetate 14.7
    transcutol 79.99
    n-heptanol 22.58
    ethylbenzene 4.13
    MIBK 13.8
    2-propoxyethanol 78.08
    tert-butanol 36.93
    MTBE 10.21
    2-butoxyethanol 45.55
    propionic acid 40.7
    o-xylene 8.09
    formic acid 161.29
    diethyl ether 10.47
    m-xylene 9.24
    p-xylene 5.55
    chlorobenzene 11.84
    dimethyl carbonate 9.84
    n-octane 0.91
    formamide 155.19
    cyclopentanone 61.13
    2-pentanone 16.82
    anisole 11.21
    cyclopentyl methyl ether 30.69
    gamma-butyrolactone 99.28
    1-methoxy-2-propanol 60.71
    pyridine 31.76
    3-pentanone 11.51
    furfural 86.76
    n-dodecane 0.76
    diethylene glycol 102.45
    diisopropyl ether 3.99
    tert-amyl alcohol 29.48
    acetylacetone 18.01
    n-hexadecane 0.86
    acetophenone 16.11
    methyl propionate 16.91
    isopentyl acetate 14.37
    trichloroethylene 41.23
    n-nonanol 13.28
    cyclohexanol 23.67
    benzyl alcohol 18.4
    2-ethylhexanol 16.76
    isooctanol 17.65
    dipropyl ether 10.48
    1,2-dichlorobenzene 14.79
    ethyl lactate 14.28
    propylene carbonate 32.88
    n-methylformamide 77.84
    2-pentanol 15.67
    n-pentane 0.9
    1-propoxy-2-propanol 40.61
    1-methoxy-2-propyl acetate 23.88
    2-(2-methoxypropoxy) propanol 32.51
    mesitylene 6.49
    ε-caprolactone 44.92
    p-cymene 6.6
    epichlorohydrin 91.58
    1,1,1-trichloroethane 13.8
    2-aminoethanol 80.08
    morpholine-4-carbaldehyde 118.75
    sulfolane 199.39
    2,2,4-trimethylpentane 1.14
    2-methyltetrahydrofuran 47.56
    n-hexyl acetate 17.25
    isooctane 1.08
    2-(2-butoxyethoxy)ethanol 46.11
    sec-butyl acetate 5.77
    tert-butyl acetate 13.43
    decalin 1.12
    glycerin 78.3
    diglyme 71.31
    acrylic acid 44.75
    isopropyl myristate 7.33
    n-butyric acid 32.19
    acetyl acetate 7.11
    di(2-ethylhexyl) phthalate 12.23
    ethyl propionate 8.75
    nitromethane 67.98
    1,2-diethoxyethane 17.75
    benzonitrile 17.23
    trioctyl phosphate 10.57
    1-bromopropane 10.23
    gamma-valerolactone 105.31
    n-decanol 10.15
    triethyl phosphate 10.48
    4-methyl-2-pentanol 11.25
    propionitrile 14.9
    vinylene carbonate 31.46
    1,1,2-trichlorotrifluoroethane 73.98
    DMS 14.61
    cumene 4.88
    2-octanol 13.28
    2-hexanone 12.12
    octyl acetate 11.01
    limonene 8.51
    1,2-dimethoxyethane 56.04
    ethyl orthosilicate 9.65
    tributyl phosphate 10.05
    diacetone alcohol 34.85
    N,N-dimethylaniline 12.95
    acrylonitrile 26.79
    aniline 17.7
    1,3-propanediol 69.82
    bromobenzene 8.7
    dibromomethane 16.78
    1,1,2,2-tetrachloroethane 37.91
    2-methyl-cyclohexyl acetate 13.65
    tetrabutyl urea 15.53
    diisobutyl methanol 10.39
    2-phenylethanol 26.94
    styrene 3.56
    dioctyl adipate 10.69
    dimethyl sulfate 35.89
    ethyl butyrate 11.4
    methyl lactate 24.67
    butyl lactate 18.39
    diethyl carbonate 7.81
    propanediol butyl ether 33.35
    triethyl orthoformate 10.18
    p-tert-butyltoluene 6.74
    methyl 4-tert-butylbenzoate 27.7
    morpholine 94.79
    tert-butylamine 15.22
    n-dodecanol 7.59
    dimethoxymethane 44.87
    ethylene carbonate 23.75
    cyrene 39.65
    2-ethoxyethyl acetate 21.86
    2-ethylhexyl acetate 11.03
    1,2,4-trichlorobenzene 19.12
    4-methylpyridine 24.69
    dibutyl ether 6.8
    2,6-dimethyl-4-heptanol 10.39
    DEF 30.2
    dimethyl isosorbide 54.16
    tetrachloroethylene 30.94
    eugenol 31.48
    triacetin 16.09
    span 80 26.81
    1,4-butanediol 33.34
    1,1-dichloroethane 14.02
    2-methyl-1-pentanol 19.12
    methyl formate 51.0
    2-methyl-1-butanol 20.63
    n-decane 1.19
    butyronitrile 13.43
    3,7-dimethyl-1-octanol 12.55
    1-chlorooctane 6.0
    1-chlorotetradecane 2.51
    n-nonane 1.07
    undecane 0.94
    tert-butylcyclohexane 1.32
    cyclooctane 0.54
    cyclopentanol 37.36
    tetrahydropyran 30.27
    tert-amyl methyl ether 11.41
    2,5,8-trioxanonane 52.9
    1-hexene 3.5
    2-isopropoxyethanol 35.13
    2,2,2-trifluoroethanol 44.53
    methyl butyrate 13.22

    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