Isopropanolamine dodecylbenzene sulfonate

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  • Identifiers

    CAS number
    42504-46-1

    Molecular formula
    C21H39NO

    SMILES
    CCCCCCCCCCCCC1=CC=CC=C1.CC(CN)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.55%
    Fatty 43.96%
    Oily 36.58%
    Sweet 25.3%
    Fishy 20.95%
    Balsamic 19.1%
    Burnt 18.58%
    Gassy 18.38%
    Meaty 18.04%
    Odorless 17.38%

     

    Flavor
    Alkane 44.83%
    Waxy 40.97%
    Mild 24.01%
    Delicate 21.24%
    Slightly waxy 21.05%
    Incense 20.64%
    Citrus peel 20.27%
    Diterpene 20.26%
    Low 20.12%
    Grapefruit peel 20.08%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    7.5 (neutral)

    Molecular weight
    321.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point

    • 147.45 ˚C est.

  • Synonyms

    • Isopropanolamine dodecylbenzenesulfonate
    • RefChem:792093
    • CONCO AAS SPECIAL 3
    • isopropanolamine dodecylbenzenesulphonate
    • Isopropanolamine dodecylbenzene sulfonate
    • 2-PROPANOL, 1-AMINO-, 4-DODECYLBENZENESULFONATE (SALT)
    • P-DODECYLBENZENESULFONIC ACID 2-HYDROXY-1-PROPYLAMINE SALT
    • 42504-46-154590-52-2
    • 42504-46-1
    • BUYGZEAOFCSTDO-UHFFFAOYSA-N
    • NS00129724
    • 42504-46-1

  • Applications

    Isopropanolamine dodecylbenzene sulfonate (CAS 42504-46-1) is a surfactant used as an emulsifier, wetting agent, and dispersant in a range of formulations. It is commonly employed in detergents and cleaners for household and industrial use; in cosmetics and personal care as a surfactant and foaming agent in products such as shampoos, shower gels, and hand cleansers; in coatings, inks, and paints as a wetting and emulsifying agent that aids pigment dispersion and substrate wetting. In polymer and plastics processing, it can serve as an emulsifier and dispersant in polymer systems and related coatings formulations; in textiles and leather processing it functions as a wetting and cleaning aid. In agricultural formulations it can act as a surface-active adjuvant to improve spray coverage and penetration.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 715.89
    methanol 265.82
    isopropanol 849.76
    water 0.0
    ethyl acetate 4766.02
    n-propanol 916.91
    acetone 4509.34
    n-butanol 1202.92
    acetonitrile 917.11
    DMF 1560.56
    toluene 2714.62
    isobutanol 816.83
    1,4-dioxane 5192.41
    methyl acetate 2177.63
    THF 9592.8
    2-butanone 3931.92
    n-pentanol 834.35
    sec-butanol 1031.38
    n-hexane 2756.4
    ethylene glycol 15.71
    NMP 1612.63
    cyclohexane 5918.39
    DMSO 2043.1
    n-butyl acetate 7759.23
    n-octanol 609.33
    chloroform 5470.41
    n-propyl acetate 3897.11
    acetic acid 330.82
    dichloromethane 7280.3
    cyclohexanone 6917.06
    propylene glycol 59.65
    isopropyl acetate 3934.75
    DMAc 1697.79
    2-ethoxyethanol 828.55
    isopentanol 1451.03
    n-heptane 3526.01
    ethyl formate 1087.45
    1,2-dichloroethane 7209.43
    n-hexanol 1628.69
    2-methoxyethanol 943.67
    isobutyl acetate 2650.97
    tetrachloromethane 1679.18
    n-pentyl acetate 2780.75
    transcutol 5168.52
    n-heptanol 645.31
    ethylbenzene 1333.34
    MIBK 3300.02
    2-propoxyethanol 1643.35
    tert-butanol 1656.04
    MTBE 5633.6
    2-butoxyethanol 942.97
    propionic acid 477.14
    o-xylene 1337.19
    formic acid 16.73
    diethyl ether 8733.12
    m-xylene 1418.07
    p-xylene 1591.6
    chlorobenzene 2342.79
    dimethyl carbonate 566.98
    n-octane 752.59
    formamide 48.99
    cyclopentanone 5123.76
    2-pentanone 5096.42
    anisole 1952.72
    cyclopentyl methyl ether 5938.48
    gamma-butyrolactone 3355.9
    1-methoxy-2-propanol 1035.93
    pyridine 4064.41
    3-pentanone 3748.44
    furfural 1591.77
    n-dodecane 269.11
    diethylene glycol 329.6
    diisopropyl ether 3319.62
    tert-amyl alcohol 1395.9
    acetylacetone 3633.91
    n-hexadecane 337.98
    acetophenone 1524.08
    methyl propionate 2318.18
    isopentyl acetate 6169.27
    trichloroethylene 6787.08
    n-nonanol 657.07
    cyclohexanol 1802.35
    benzyl alcohol 581.87
    2-ethylhexanol 2196.93
    isooctanol 783.03
    dipropyl ether 11515.12
    1,2-dichlorobenzene 2038.11
    ethyl lactate 489.68
    propylene carbonate 1931.6
    n-methylformamide 348.81
    2-pentanol 1259.34
    n-pentane 1710.39
    1-propoxy-2-propanol 2341.42
    1-methoxy-2-propyl acetate 3741.7
    2-(2-methoxypropoxy) propanol 882.62
    mesitylene 1107.22
    ε-caprolactone 4127.85
    p-cymene 1320.06
    epichlorohydrin 5250.83
    1,1,1-trichloroethane 6242.27
    2-aminoethanol 80.18
    morpholine-4-carbaldehyde 1837.84
    sulfolane 3346.9
    2,2,4-trimethylpentane 570.67
    2-methyltetrahydrofuran 7951.9
    n-hexyl acetate 2517.51
    isooctane 523.78
    2-(2-butoxyethoxy)ethanol 1264.5
    sec-butyl acetate 3015.27
    tert-butyl acetate 4793.17
    decalin 1199.38
    glycerin 69.59
    diglyme 3637.76
    acrylic acid 217.17
    isopropyl myristate 1266.21
    n-butyric acid 1650.74
    acetyl acetate 2022.63
    di(2-ethylhexyl) phthalate 488.34
    ethyl propionate 3315.23
    nitromethane 937.46
    1,2-diethoxyethane 8541.77
    benzonitrile 1088.95
    trioctyl phosphate 456.2
    1-bromopropane 6945.4
    gamma-valerolactone 4001.2
    n-decanol 482.9
    triethyl phosphate 1412.23
    4-methyl-2-pentanol 881.31
    propionitrile 1388.04
    vinylene carbonate 1187.98
    1,1,2-trichlorotrifluoroethane 1385.18
    DMS 1287.57
    cumene 847.01
    2-octanol 579.07
    2-hexanone 3726.05
    octyl acetate 1176.55
    limonene 2998.58
    1,2-dimethoxyethane 4300.37
    ethyl orthosilicate 1630.41
    tributyl phosphate 692.5
    diacetone alcohol 1957.31
    N,N-dimethylaniline 1165.48
    acrylonitrile 874.0
    aniline 1246.33
    1,3-propanediol 258.12
    bromobenzene 3268.93
    dibromomethane 5998.78
    1,1,2,2-tetrachloroethane 6118.05
    2-methyl-cyclohexyl acetate 2407.22
    tetrabutyl urea 981.88
    diisobutyl methanol 1707.33
    2-phenylethanol 876.21
    styrene 1722.74
    dioctyl adipate 1317.19
    dimethyl sulfate 803.15
    ethyl butyrate 6816.53
    methyl lactate 321.32
    butyl lactate 923.75
    diethyl carbonate 2864.44
    propanediol butyl ether 429.61
    triethyl orthoformate 3894.67
    p-tert-butyltoluene 1225.25
    methyl 4-tert-butylbenzoate 1146.02
    morpholine 5436.29
    tert-butylamine 1592.5
    n-dodecanol 396.03
    dimethoxymethane 2437.12
    ethylene carbonate 1531.39
    cyrene 556.16
    2-ethoxyethyl acetate 2789.37
    2-ethylhexyl acetate 5413.8
    1,2,4-trichlorobenzene 2042.63
    4-methylpyridine 3698.54
    dibutyl ether 5447.12
    2,6-dimethyl-4-heptanol 1707.33
    DEF 3985.08
    dimethyl isosorbide 1985.67
    tetrachloroethylene 3555.4
    eugenol 681.27
    triacetin 1574.2
    span 80 797.14
    1,4-butanediol 87.26
    1,1-dichloroethane 5816.98
    2-methyl-1-pentanol 987.15
    methyl formate 307.3
    2-methyl-1-butanol 1131.62
    n-decane 633.35
    butyronitrile 2246.81
    3,7-dimethyl-1-octanol 1093.95
    1-chlorooctane 1612.94
    1-chlorotetradecane 549.6
    n-nonane 735.31
    undecane 383.07
    tert-butylcyclohexane 940.72
    cyclooctane 1787.28
    cyclopentanol 1231.77
    tetrahydropyran 11509.92
    tert-amyl methyl ether 3518.95
    2,5,8-trioxanonane 1856.57
    1-hexene 4573.82
    2-isopropoxyethanol 871.46
    2,2,2-trifluoroethanol 81.18
    methyl butyrate 3994.52

    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