Tridecylbenzenesulfonic acid (mixed isomers)

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  • Identifiers

    CAS number
    25496-01-9

    Molecular formula
    C19H32O3S

    SMILES
    CCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 45.88%
    Odorless 41.87%
    Waxy 39.99%
    Oily 25.01%
    Citrus 22.66%
    Fresh 19.91%
    Savory 19.6%
    Green 19.53%
    Meaty 19.23%
    Animal 19.17%

     

    Flavor
    Bitter 25.29%
    Waxy 23.93%
    Mild 23.71%
    Bland 21.14%
    Herbal 20.54%
    Slightly waxy 19.95%
    Low 19.57%
    Diterpene 19.38%
    Delicate 19.24%
    Odorless 19.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    8.17 (weak base)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    470°C

    Flash point

    • 214.36 ˚C est.

  • Synonyms

    • Benzenesulfonic acid, tridecyl-
    • TRIDECYLBENZENESULFONIC ACID
    • Tridecylbenzenesulphonic acid
    • ON8KWY67R1
    • EINECS 247-036-5
    • RefChem:899422
    • CONOCO SA-697
    • DTXSID8027874
    • DTXCID801764352
    • TRIDECYLBENZENESULFONIC ACID [INCI]
    • J263.416C
    • TRIDECYLBENZENESULFONIC ACID (MIXED ISOMERS)
    • 4-tridecylbenzenesulfonic acid
    • Benzenesulfonic acid, 4-tridecyl-
    • 25496-01-9
    • 59599-57-4
    • X6J40P43M8
    • UNII-X6J40P43M8
    • 4-Tridecylbenzene-1-sulfonic acid
    • UNII-ON8KWY67R1
    • SCHEMBL974537
    • DTXSID00975002
    • NS00051169
    • Q27293607
    • 25496-01-9

  • Applications

    Tridecylbenzenesulfonic acid (mixed isomers), CAS 25496-01-9, is primarily used as an anionic surfactant in household and industrial cleaners and detergents to provide wetting, emulsification and foam characteristics; it serves as an emulsifier and wetting agent in coatings, paints and inks; it functions as a pigment and polymer dispersion aid, improving stability and processability in plastics, rubber, and coating formulations; it is commonly employed as an intermediate or building block in the manufacture of other sulfonated surfactants and dye/pigment chemistries; and it may be used in cosmetics/personal care formulations as a surfactant or cleansing agent, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.36
    methanol 39.37
    isopropanol 35.4
    water 0.02
    ethyl acetate 65.4
    n-propanol 49.53
    acetone 95.56
    n-butanol 38.83
    acetonitrile 19.74
    DMF 264.76
    toluene 37.51
    isobutanol 30.09
    1,4-dioxane 88.08
    methyl acetate 54.69
    THF 298.27
    2-butanone 116.61
    n-pentanol 32.17
    sec-butanol 41.71
    n-hexane 1.95
    ethylene glycol 2.78
    NMP 420.18
    cyclohexane 7.26
    DMSO 179.05
    n-butyl acetate 73.6
    n-octanol 19.57
    chloroform 160.26
    n-propyl acetate 77.33
    acetic acid 33.22
    dichloromethane 169.34
    cyclohexanone 266.93
    propylene glycol 12.21
    isopropyl acetate 68.07
    DMAc 364.66
    2-ethoxyethanol 72.48
    isopentanol 35.44
    n-heptane 1.99
    ethyl formate 34.16
    1,2-dichloroethane 143.86
    n-hexanol 28.41
    2-methoxyethanol 89.18
    isobutyl acetate 50.86
    tetrachloromethane 18.84
    n-pentyl acetate 86.49
    transcutol 272.13
    n-heptanol 24.45
    ethylbenzene 22.42
    MIBK 74.69
    2-propoxyethanol 79.3
    tert-butanol 44.24
    MTBE 58.87
    2-butoxyethanol 69.83
    propionic acid 38.49
    o-xylene 32.71
    formic acid 9.01
    diethyl ether 42.06
    m-xylene 28.68
    p-xylene 28.72
    chlorobenzene 62.91
    dimethyl carbonate 28.09
    n-octane 1.56
    formamide 31.01
    cyclopentanone 332.85
    2-pentanone 101.63
    anisole 61.81
    cyclopentyl methyl ether 120.08
    gamma-butyrolactone 248.57
    1-methoxy-2-propanol 97.52
    pyridine 131.51
    3-pentanone 78.66
    furfural 155.05
    n-dodecane 1.14
    diethylene glycol 32.65
    diisopropyl ether 17.57
    tert-amyl alcohol 49.11
    acetylacetone 135.12
    n-hexadecane 1.4
    acetophenone 93.57
    methyl propionate 66.55
    isopentyl acetate 74.54
    trichloroethylene 279.22
    n-nonanol 21.02
    cyclohexanol 53.22
    benzyl alcohol 48.82
    2-ethylhexanol 22.56
    isooctanol 23.96
    dipropyl ether 29.5
    1,2-dichlorobenzene 75.64
    ethyl lactate 37.39
    propylene carbonate 122.13
    n-methylformamide 66.23
    2-pentanol 27.37
    n-pentane 1.92
    1-propoxy-2-propanol 72.7
    1-methoxy-2-propyl acetate 99.97
    2-(2-methoxypropoxy) propanol 69.94
    mesitylene 19.42
    ε-caprolactone 201.52
    p-cymene 17.74
    epichlorohydrin 256.87
    1,1,1-trichloroethane 103.42
    2-aminoethanol 16.59
    morpholine-4-carbaldehyde 242.35
    sulfolane 399.19
    2,2,4-trimethylpentane 2.72
    2-methyltetrahydrofuran 172.35
    n-hexyl acetate 79.1
    isooctane 1.87
    2-(2-butoxyethoxy)ethanol 94.14
    sec-butyl acetate 61.56
    tert-butyl acetate 96.5
    decalin 4.9
    glycerin 16.56
    diglyme 179.48
    acrylic acid 26.86
    isopropyl myristate 27.93
    n-butyric acid 72.2
    acetyl acetate 43.88
    di(2-ethylhexyl) phthalate 30.06
    ethyl propionate 55.94
    nitromethane 88.26
    1,2-diethoxyethane 96.15
    benzonitrile 52.19
    trioctyl phosphate 20.48
    1-bromopropane 60.41
    gamma-valerolactone 375.05
    n-decanol 14.51
    triethyl phosphate 32.75
    4-methyl-2-pentanol 19.89
    propionitrile 27.3
    vinylene carbonate 88.03
    1,1,2-trichlorotrifluoroethane 154.92
    DMS 58.49
    cumene 16.57
    2-octanol 19.33
    2-hexanone 84.5
    octyl acetate 35.81
    limonene 29.62
    1,2-dimethoxyethane 124.72
    ethyl orthosilicate 32.58
    tributyl phosphate 26.39
    diacetone alcohol 108.58
    N,N-dimethylaniline 52.17
    acrylonitrile 35.19
    aniline 50.97
    1,3-propanediol 29.61
    bromobenzene 67.31
    dibromomethane 105.89
    1,1,2,2-tetrachloroethane 243.99
    2-methyl-cyclohexyl acetate 68.49
    tetrabutyl urea 47.78
    diisobutyl methanol 16.71
    2-phenylethanol 47.38
    styrene 28.83
    dioctyl adipate 48.97
    dimethyl sulfate 78.6
    ethyl butyrate 57.64
    methyl lactate 40.61
    butyl lactate 71.78
    diethyl carbonate 33.48
    propanediol butyl ether 60.2
    triethyl orthoformate 45.98
    p-tert-butyltoluene 18.07
    methyl 4-tert-butylbenzoate 85.46
    morpholine 161.35
    tert-butylamine 24.7
    n-dodecanol 10.12
    dimethoxymethane 105.12
    ethylene carbonate 74.99
    cyrene 92.53
    2-ethoxyethyl acetate 110.78
    2-ethylhexyl acetate 63.78
    1,2,4-trichlorobenzene 97.45
    4-methylpyridine 121.62
    dibutyl ether 29.78
    2,6-dimethyl-4-heptanol 16.71
    DEF 146.14
    dimethyl isosorbide 164.01
    tetrachloroethylene 132.7
    eugenol 73.83
    triacetin 93.0
    span 80 63.92
    1,4-butanediol 11.81
    1,1-dichloroethane 104.24
    2-methyl-1-pentanol 33.81
    methyl formate 32.72
    2-methyl-1-butanol 35.28
    n-decane 2.29
    butyronitrile 34.98
    3,7-dimethyl-1-octanol 22.18
    1-chlorooctane 15.19
    1-chlorotetradecane 5.39
    n-nonane 1.91
    undecane 1.54
    tert-butylcyclohexane 3.75
    cyclooctane 2.02
    cyclopentanol 70.24
    tetrahydropyran 135.15
    tert-amyl methyl ether 51.22
    2,5,8-trioxanonane 112.94
    1-hexene 12.16
    2-isopropoxyethanol 57.0
    2,2,2-trifluoroethanol 17.09
    methyl butyrate 88.0

    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