4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate

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  • Identifiers

    CAS number
    52793-97-2

    Molecular formula
    C21H31NO4S

    SMILES
    CC1(C\2CCC1(C(=O)/C2=C\C3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 65.05%
    Herbal 52.53%
    Camphoreous 40.62%
    Dry 36.46%
    Amber 36.45%
    Spicy 34.51%
    Mint 33.97%
    Cedar 33.7%
    Musk 32.58%
    Fruity 31.73%

     

    Flavor
    Bitter 50.25%
    Woody 38.94%
    Herbal 27.62%
    Camphor 26.0%
    Cedarleaf 20.43%
    Heather 19.75%
    Broom 19.42%
    Genet 19.37%
    Red fruit 19.25%
    Sandalwood 19.14%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.06 (neutral)

    Molecular weight
    393.5 g/mol

    Flash point

    • 12.56 ˚C est.

  • Synonyms

    • DTXSID901021735
    • Benzenaminium, N,N,N-trimethyl-4-((4,7,7-trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)-, methyl sulfate
    • 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate
    • OBMPTMS
    • RefChem:96847
    • DTXCID301506709
    • 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
    • 52793-97-2
    • methanesulfonate;trimethyl-[4-[(Z)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium
    • CAMPHOR BENZALKONIUM METHOSULFATE
    • SCHEMBL337974
    • MSK40352B
    • BPDGKTMMBDRVHQ-UNVLYCKESA-M
    • EINECS 258-190-8
    • FC172206
    • 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulphate
    • 52793-97-2

  • Applications

    4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate (CAS 52793-97-2) is a quaternary ammonium salt used in several niche formulations. In perfumery and cosmetics it can function as an odorant and fragrance fixative, helping to stabilize and prolong fragrance release, while also serving as a fragrance ingredient in personal care products. In household cleaning formulations it may act as a cationic surfactant or functional additive to enhance surface activity and formulation stability. In coatings or inks, its cationic nature can aid pigment dispersion and surface interaction. Additionally, it can be employed as a synthetic intermediate in the manufacture of specialty chemicals and materials in industrial manufacturing, subject to process needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.78
    methanol 139.29
    isopropanol 131.09
    water 1.63
    ethyl acetate 297.49
    n-propanol 136.73
    acetone 229.79
    n-butanol 138.21
    acetonitrile 139.96
    DMF 316.67
    toluene 333.88
    isobutanol 103.84
    1,4-dioxane 570.19
    methyl acetate 219.5
    THF 473.36
    2-butanone 201.55
    n-pentanol 88.5
    sec-butanol 90.51
    n-hexane 10.63
    ethylene glycol 26.83
    NMP 146.42
    cyclohexane 28.99
    DMSO 81.88
    n-butyl acetate 152.11
    n-octanol 42.31
    chloroform 1147.36
    n-propyl acetate 154.06
    acetic acid 199.18
    dichloromethane 641.68
    cyclohexanone 266.56
    propylene glycol 42.63
    isopropyl acetate 220.2
    DMAc 273.26
    2-ethoxyethanol 203.17
    isopentanol 139.86
    n-heptane 9.87
    ethyl formate 150.21
    1,2-dichloroethane 299.2
    n-hexanol 107.13
    2-methoxyethanol 302.37
    isobutyl acetate 133.69
    tetrachloromethane 148.59
    n-pentyl acetate 106.36
    transcutol 571.66
    n-heptanol 70.38
    ethylbenzene 144.8
    MIBK 166.61
    2-propoxyethanol 281.81
    tert-butanol 150.06
    MTBE 175.06
    2-butoxyethanol 192.73
    propionic acid 114.47
    o-xylene 165.4
    formic acid 91.36
    diethyl ether 202.68
    m-xylene 215.21
    p-xylene 237.95
    chlorobenzene 290.75
    dimethyl carbonate 159.7
    n-octane 4.46
    formamide 188.14
    cyclopentanone 246.14
    2-pentanone 185.99
    anisole 287.67
    cyclopentyl methyl ether 198.46
    gamma-butyrolactone 259.15
    1-methoxy-2-propanol 255.77
    pyridine 427.71
    3-pentanone 157.78
    furfural 339.9
    n-dodecane 3.27
    diethylene glycol 183.07
    diisopropyl ether 75.93
    tert-amyl alcohol 100.93
    acetylacetone 315.58
    n-hexadecane 3.99
    acetophenone 231.18
    methyl propionate 208.54
    isopentyl acetate 166.86
    trichloroethylene 738.64
    n-nonanol 47.68
    cyclohexanol 114.7
    benzyl alcohol 195.18
    2-ethylhexanol 68.03
    isooctanol 64.29
    dipropyl ether 95.55
    1,2-dichlorobenzene 274.38
    ethyl lactate 81.5
    propylene carbonate 196.72
    n-methylformamide 158.19
    2-pentanol 92.74
    n-pentane 14.17
    1-propoxy-2-propanol 172.85
    1-methoxy-2-propyl acetate 255.6
    2-(2-methoxypropoxy) propanol 152.86
    mesitylene 124.77
    ε-caprolactone 237.98
    p-cymene 62.81
    epichlorohydrin 398.83
    1,1,1-trichloroethane 401.07
    2-aminoethanol 79.73
    morpholine-4-carbaldehyde 363.58
    sulfolane 157.72
    2,2,4-trimethylpentane 10.02
    2-methyltetrahydrofuran 247.45
    n-hexyl acetate 117.8
    isooctane 10.08
    2-(2-butoxyethoxy)ethanol 208.16
    sec-butyl acetate 145.54
    tert-butyl acetate 223.94
    decalin 17.77
    glycerin 68.96
    diglyme 439.8
    acrylic acid 114.1
    isopropyl myristate 51.76
    n-butyric acid 202.55
    acetyl acetate 270.25
    di(2-ethylhexyl) phthalate 67.02
    ethyl propionate 159.33
    nitromethane 332.49
    1,2-diethoxyethane 209.06
    benzonitrile 197.48
    trioctyl phosphate 37.0
    1-bromopropane 153.22
    gamma-valerolactone 458.67
    n-decanol 32.67
    triethyl phosphate 75.21
    4-methyl-2-pentanol 85.04
    propionitrile 134.52
    vinylene carbonate 249.34
    1,1,2-trichlorotrifluoroethane 325.43
    DMS 169.52
    cumene 91.83
    2-octanol 38.29
    2-hexanone 133.32
    octyl acetate 60.72
    limonene 58.25
    1,2-dimethoxyethane 397.04
    ethyl orthosilicate 79.95
    tributyl phosphate 43.24
    diacetone alcohol 191.39
    N,N-dimethylaniline 178.38
    acrylonitrile 167.25
    aniline 267.19
    1,3-propanediol 147.2
    bromobenzene 311.38
    dibromomethane 370.01
    1,1,2,2-tetrachloroethane 545.82
    2-methyl-cyclohexyl acetate 127.27
    tetrabutyl urea 51.73
    diisobutyl methanol 49.1
    2-phenylethanol 206.82
    styrene 163.76
    dioctyl adipate 81.67
    dimethyl sulfate 152.84
    ethyl butyrate 138.99
    methyl lactate 109.22
    butyl lactate 89.63
    diethyl carbonate 109.31
    propanediol butyl ether 110.95
    triethyl orthoformate 116.58
    p-tert-butyltoluene 65.04
    methyl 4-tert-butylbenzoate 169.84
    morpholine 495.75
    tert-butylamine 96.56
    n-dodecanol 23.31
    dimethoxymethane 361.78
    ethylene carbonate 194.19
    cyrene 139.24
    2-ethoxyethyl acetate 214.03
    2-ethylhexyl acetate 130.34
    1,2,4-trichlorobenzene 303.95
    4-methylpyridine 417.05
    dibutyl ether 52.49
    2,6-dimethyl-4-heptanol 49.1
    DEF 190.55
    dimethyl isosorbide 253.2
    tetrachloroethylene 395.47
    eugenol 181.89
    triacetin 163.9
    span 80 118.28
    1,4-butanediol 50.88
    1,1-dichloroethane 347.04
    2-methyl-1-pentanol 91.18
    methyl formate 127.66
    2-methyl-1-butanol 108.34
    n-decane 6.31
    butyronitrile 138.42
    3,7-dimethyl-1-octanol 54.1
    1-chlorooctane 30.68
    1-chlorotetradecane 11.68
    n-nonane 5.24
    undecane 4.33
    tert-butylcyclohexane 16.46
    cyclooctane 11.74
    cyclopentanol 94.93
    tetrahydropyran 340.24
    tert-amyl methyl ether 115.25
    2,5,8-trioxanonane 264.92
    1-hexene 46.88
    2-isopropoxyethanol 158.75
    2,2,2-trifluoroethanol 117.15
    methyl butyrate 176.18

    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