Phenyl pentadecane-1-sulfonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    91082-17-6

    Molecular formula
    C21H36O3S

    SMILES
    CCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 46.17%
    Waxy 43.89%
    Odorless 35.94%
    Oily 27.69%
    Meaty 23.57%
    Savory 23.02%
    Fresh 20.09%
    Citrus 19.21%
    Green 19.04%
    Balsamic 18.05%

     

    Flavor
    Bland 26.1%
    Mild 23.78%
    Waxy 21.23%
    Bitter 20.64%
    Slightly waxy 20.32%
    Faint 19.41%
    Delicate 19.34%
    Low 19.21%
    Cedarleaf 19.12%
    Diterpene 19.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    7.89 (neutral)

    Molecular weight
    368.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    504°C

    Flash point

    • 225.36 ˚C est.

  • Synonyms

    • Phenyl 1-pentadecanesulfonate
    • PHENYL PENTADECANE-1-SULFONATE
    • 91082-17-6
    • 1-Pentadecanesulfonicacidphenylester
    • 20755-22-0
    • Q4FQ4SJ6CW
    • 1-Pentadecanesulfonic acid, phenyl ester
    • DTXSID00274002
    • RefChem:861625
    • DTXCID9027526
    • EINECS 293-728-5
    • EC 293-728-5
    • 293-728-5
    • Mesamoll
    • UNII-Q4FQ4SJ6CW
    • T-50
    • DSSTox_CID_27526
    • DSSTox_RID_82396
    • DSSTox_GSID_47526
    • SCHEMBL886892
    • CHEMBL3188793
    • UDKSLGIUCGAZTK-UHFFFAOYSA-N
    • Tox21_300331
    • NCGC00247994-01
    • NCGC00254254-01
    • CAS-91082-17-6
    • 91082-17-6

  • Applications

    Phenyl pentadecane-1-sulfonate (CAS 91082-17-6) is an anionic sulfonate with a long hydrophobic chain and a phenyl group, typically considered as a surfactant and dispersant for industrial formulations. In practical terms, it is used as a surfactant and dispersant in household and industrial cleaning products; as an emulsifier or solubilizer in cosmetics and personal care; as a processing aid or dispersant in polymer and plastics formulations to improve pigment dispersion and stability; as a surface-active additive in coatings, paints, and inks to enhance pigment dispersion and film uniformity; and as an intermediate in organic synthesis or as a processing additive in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.03
    methanol 45.76
    isopropanol 43.84
    water 0.06
    ethyl acetate 350.06
    n-propanol 54.79
    acetone 423.32
    n-butanol 50.28
    acetonitrile 162.59
    DMF 819.28
    toluene 158.34
    isobutanol 43.93
    1,4-dioxane 343.4
    methyl acetate 284.72
    THF 1006.41
    2-butanone 428.13
    n-pentanol 45.37
    sec-butanol 56.22
    n-hexane 9.36
    ethylene glycol 4.44
    NMP 1476.65
    cyclohexane 69.59
    DMSO 611.91
    n-butyl acetate 266.15
    n-octanol 54.99
    chloroform 1170.75
    n-propyl acetate 308.08
    acetic acid 118.95
    dichloromethane 1364.05
    cyclohexanone 1196.17
    propylene glycol 14.02
    isopropyl acetate 264.84
    DMAc 1049.44
    2-ethoxyethanol 113.62
    isopentanol 53.11
    n-heptane 10.78
    ethyl formate 175.28
    1,2-dichloroethane 929.26
    n-hexanol 42.85
    2-methoxyethanol 143.7
    isobutyl acetate 172.6
    tetrachloromethane 119.38
    n-pentyl acetate 336.47
    transcutol 508.02
    n-heptanol 41.89
    ethylbenzene 82.17
    MIBK 219.5
    2-propoxyethanol 131.15
    tert-butanol 69.64
    MTBE 149.91
    2-butoxyethanol 128.69
    propionic acid 123.71
    o-xylene 118.12
    formic acid 24.16
    diethyl ether 136.06
    m-xylene 97.4
    p-xylene 121.49
    chlorobenzene 425.19
    dimethyl carbonate 137.44
    n-octane 7.18
    formamide 89.64
    cyclopentanone 1399.08
    2-pentanone 363.43
    anisole 238.74
    cyclopentyl methyl ether 396.78
    gamma-butyrolactone 1208.37
    1-methoxy-2-propanol 147.14
    pyridine 632.0
    3-pentanone 351.22
    furfural 810.01
    n-dodecane 5.66
    diethylene glycol 52.28
    diisopropyl ether 51.8
    tert-amyl alcohol 78.29
    acetylacetone 621.23
    n-hexadecane 7.04
    acetophenone 340.97
    methyl propionate 286.27
    isopentyl acetate 234.07
    trichloroethylene 1767.27
    n-nonanol 57.92
    cyclohexanol 142.1
    benzyl alcohol 126.1
    2-ethylhexanol 48.13
    isooctanol 42.86
    dipropyl ether 110.17
    1,2-dichlorobenzene 492.62
    ethyl lactate 105.99
    propylene carbonate 623.62
    n-methylformamide 215.44
    2-pentanol 41.01
    n-pentane 7.67
    1-propoxy-2-propanol 127.99
    1-methoxy-2-propyl acetate 282.84
    2-(2-methoxypropoxy) propanol 150.53
    mesitylene 66.95
    ε-caprolactone 854.57
    p-cymene 56.44
    epichlorohydrin 1136.36
    1,1,1-trichloroethane 755.91
    2-aminoethanol 19.08
    morpholine-4-carbaldehyde 799.44
    sulfolane 1661.43
    2,2,4-trimethylpentane 8.69
    2-methyltetrahydrofuran 597.23
    n-hexyl acetate 318.14
    isooctane 4.91
    2-(2-butoxyethoxy)ethanol 186.35
    sec-butyl acetate 204.06
    tert-butyl acetate 325.95
    decalin 23.85
    glycerin 24.73
    diglyme 472.63
    acrylic acid 98.54
    isopropyl myristate 107.16
    n-butyric acid 214.52
    acetyl acetate 274.67
    di(2-ethylhexyl) phthalate 94.7
    ethyl propionate 261.88
    nitromethane 526.44
    1,2-diethoxyethane 254.22
    benzonitrile 270.48
    trioctyl phosphate 62.76
    1-bromopropane 321.33
    gamma-valerolactone 1426.36
    n-decanol 38.25
    triethyl phosphate 127.54
    4-methyl-2-pentanol 29.77
    propionitrile 149.56
    vinylene carbonate 489.52
    1,1,2-trichlorotrifluoroethane 533.5
    DMS 276.44
    cumene 54.49
    2-octanol 42.38
    2-hexanone 276.49
    octyl acetate 132.86
    limonene 103.35
    1,2-dimethoxyethane 362.61
    ethyl orthosilicate 112.91
    tributyl phosphate 93.71
    diacetone alcohol 246.69
    N,N-dimethylaniline 153.95
    acrylonitrile 194.52
    aniline 166.52
    1,3-propanediol 38.93
    bromobenzene 525.96
    dibromomethane 740.52
    1,1,2,2-tetrachloroethane 1370.84
    2-methyl-cyclohexyl acetate 217.77
    tetrabutyl urea 160.41
    diisobutyl methanol 37.8
    2-phenylethanol 108.21
    styrene 126.16
    dioctyl adipate 188.35
    dimethyl sulfate 337.01
    ethyl butyrate 244.98
    methyl lactate 117.24
    butyl lactate 194.94
    diethyl carbonate 155.61
    propanediol butyl ether 114.23
    triethyl orthoformate 167.08
    p-tert-butyltoluene 52.56
    methyl 4-tert-butylbenzoate 244.37
    morpholine 461.1
    tert-butylamine 42.75
    n-dodecanol 27.49
    dimethoxymethane 305.62
    ethylene carbonate 420.11
    cyrene 209.16
    2-ethoxyethyl acetate 390.09
    2-ethylhexyl acetate 207.74
    1,2,4-trichlorobenzene 562.78
    4-methylpyridine 542.03
    dibutyl ether 136.98
    2,6-dimethyl-4-heptanol 37.8
    DEF 527.23
    dimethyl isosorbide 442.11
    tetrachloroethylene 755.05
    eugenol 188.87
    triacetin 380.15
    span 80 151.82
    1,4-butanediol 17.55
    1,1-dichloroethane 645.96
    2-methyl-1-pentanol 50.11
    methyl formate 158.87
    2-methyl-1-butanol 53.86
    n-decane 11.3
    butyronitrile 150.84
    3,7-dimethyl-1-octanol 60.44
    1-chlorooctane 75.38
    1-chlorotetradecane 25.55
    n-nonane 9.95
    undecane 7.45
    tert-butylcyclohexane 14.92
    cyclooctane 14.09
    cyclopentanol 182.45
    tetrahydropyran 480.66
    tert-amyl methyl ether 137.64
    2,5,8-trioxanonane 276.41
    1-hexene 46.1
    2-isopropoxyethanol 93.27
    2,2,2-trifluoroethanol 69.3
    methyl butyrate 399.19

    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