1-Hexadecanesulfonyl chloride

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  • Identifiers

    CAS number
    38775-38-1

    Molecular formula
    C16H33ClO2S

    SMILES
    CCCCCCCCCCCCCCCCS(=O)(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 50.96%
    Waxy 40.35%
    Odorless 36.82%
    Meaty 30.18%
    Savory 27.61%
    Oily 24.72%
    Citrus 24.66%
    Fresh 20.76%
    Fishy 18.67%
    Milky 17.35%

     

    Flavor
    Bland 28.1%
    Mild 21.99%
    Faint 21.32%
    Odorless 21.04%
    Slightly waxy 20.94%
    Delicate 19.84%
    Low 19.58%
    Diterpene 19.5%
    Bay oil 19.4%
    Waxy 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.07 (weak base)

    Molecular weight
    325.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    405°C

    Flash point

    • 204.8 ˚C est.

  • Synonyms

    • 1-Hexadecanesulfonyl chloride
    • 38775-38-1
    • hexadecane-1-sulfonyl chloride
    • DTXSID2068139
    • RefChem:75887
    • DTXCID6039558
    • 254-123-1
    • Hexadecylsulfonyl chloride
    • 1-Hexadecanesulfonylchloride
    • MFCD00007459
    • 1-hexadecylsulfonyl chloride
    • C16H33ClO2S
    • Hexadecane-1-sulphonyl chloride
    • EINECS 254-123-1
    • NSC 93798
    • hexadecanesulfonylchloride
    • hexadecanesulfonyl chloride
    • cetyl sulphonic acid chloride
    • 1-Hexadecanesulphonyl chloride
    • n-Hexadecane sulfonyl chloride
    • SCHEMBL744901
    • Sulfonyl chloride, 1-hexadecane-
    • NBA77538
    • NSC93798
    • 1-Hexadecanesulfonyl chloride, 98%
    • NSC-93798
    • AKOS016016483
    • PD195070
    • DB-049330
    • NS00058970
    • G66579
    • 1-Hexadecanesulfonyl chloride

  • Applications

    1-Hexadecanesulfonyl chloride (CAS 38775-38-1) is a long-chain sulfonyl chloride reagent used primarily as an intermediate to introduce lipophilic sulfonyl or sulfonamide functionality. In industry, it is employed as a sulfonylating agent to prepare lipophilic sulfonamide derivatives that serve as specialty surfactants and coating/additive components for polymers and coatings; it can also act as a protecting-group reagent for amines in organic synthesis, enabling selective sequence of transformations when constructing complex molecules. As a building block for sulfonamide-containing compounds, it is relevant to pharmaceutical and fine chemical research, and it may be evaluated for use in cosmetics and household products as lipophilic surfactants or formulation aids. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.3
    methanol 5.95
    isopropanol 9.65
    water 0.0
    ethyl acetate 127.21
    n-propanol 11.57
    acetone 120.18
    n-butanol 12.49
    acetonitrile 34.07
    DMF 321.74
    toluene 69.38
    isobutanol 12.03
    1,4-dioxane 146.09
    methyl acetate 93.01
    THF 462.55
    2-butanone 151.71
    n-pentanol 15.22
    sec-butanol 16.38
    n-hexane 5.54
    ethylene glycol 0.89
    NMP 796.67
    cyclohexane 30.94
    DMSO 218.35
    n-butyl acetate 149.32
    n-octanol 31.2
    chloroform 434.6
    n-propyl acetate 146.89
    acetic acid 30.22
    dichloromethane 406.51
    cyclohexanone 561.18
    propylene glycol 3.95
    isopropyl acetate 127.77
    DMAc 519.69
    2-ethoxyethanol 46.36
    isopentanol 17.92
    n-heptane 8.74
    ethyl formate 60.32
    1,2-dichloroethane 276.9
    n-hexanol 20.18
    2-methoxyethanol 46.75
    isobutyl acetate 99.14
    tetrachloromethane 53.11
    n-pentyl acetate 201.94
    transcutol 367.91
    n-heptanol 20.85
    ethylbenzene 49.0
    MIBK 117.04
    2-propoxyethanol 64.84
    tert-butanol 26.62
    MTBE 73.65
    2-butoxyethanol 65.12
    propionic acid 31.8
    o-xylene 69.09
    formic acid 4.31
    diethyl ether 43.81
    m-xylene 57.88
    p-xylene 73.81
    chlorobenzene 168.55
    dimethyl carbonate 47.63
    n-octane 5.06
    formamide 16.21
    cyclopentanone 707.02
    2-pentanone 143.55
    anisole 142.71
    cyclopentyl methyl ether 220.38
    gamma-butyrolactone 542.9
    1-methoxy-2-propanol 60.36
    pyridine 225.46
    3-pentanone 139.72
    furfural 457.99
    n-dodecane 3.47
    diethylene glycol 23.1
    diisopropyl ether 29.86
    tert-amyl alcohol 34.69
    acetylacetone 313.44
    n-hexadecane 4.56
    acetophenone 225.81
    methyl propionate 105.5
    isopentyl acetate 157.64
    trichloroethylene 691.7
    n-nonanol 34.34
    cyclohexanol 51.26
    benzyl alcohol 63.3
    2-ethylhexanol 29.83
    isooctanol 24.64
    dipropyl ether 75.51
    1,2-dichlorobenzene 252.25
    ethyl lactate 53.93
    propylene carbonate 293.4
    n-methylformamide 56.17
    2-pentanol 14.3
    n-pentane 3.23
    1-propoxy-2-propanol 79.59
    1-methoxy-2-propyl acetate 186.87
    2-(2-methoxypropoxy) propanol 123.88
    mesitylene 48.18
    ε-caprolactone 419.41
    p-cymene 48.89
    epichlorohydrin 478.21
    1,1,1-trichloroethane 325.96
    2-aminoethanol 4.04
    morpholine-4-carbaldehyde 465.91
    sulfolane 991.3
    2,2,4-trimethylpentane 6.12
    2-methyltetrahydrofuran 281.45
    n-hexyl acetate 206.99
    isooctane 3.59
    2-(2-butoxyethoxy)ethanol 132.27
    sec-butyl acetate 123.62
    tert-butyl acetate 206.81
    decalin 18.05
    glycerin 8.8
    diglyme 343.37
    acrylic acid 26.16
    isopropyl myristate 77.64
    n-butyric acid 72.36
    acetyl acetate 128.33
    di(2-ethylhexyl) phthalate 65.51
    ethyl propionate 127.25
    nitromethane 162.74
    1,2-diethoxyethane 173.04
    benzonitrile 135.61
    trioctyl phosphate 39.55
    1-bromopropane 107.91
    gamma-valerolactone 756.42
    n-decanol 22.64
    triethyl phosphate 98.64
    4-methyl-2-pentanol 13.76
    propionitrile 34.56
    vinylene carbonate 219.45
    1,1,2-trichlorotrifluoroethane 283.26
    DMS 156.97
    cumene 37.99
    2-octanol 24.29
    2-hexanone 141.01
    octyl acetate 89.18
    limonene 89.12
    1,2-dimethoxyethane 200.23
    ethyl orthosilicate 87.71
    tributyl phosphate 63.37
    diacetone alcohol 147.9
    N,N-dimethylaniline 109.07
    acrylonitrile 49.7
    aniline 61.59
    1,3-propanediol 9.55
    bromobenzene 230.81
    dibromomethane 233.35
    1,1,2,2-tetrachloroethane 604.11
    2-methyl-cyclohexyl acetate 185.29
    tetrabutyl urea 116.27
    diisobutyl methanol 29.44
    2-phenylethanol 64.74
    styrene 67.64
    dioctyl adipate 146.02
    dimethyl sulfate 161.84
    ethyl butyrate 162.91
    methyl lactate 50.0
    butyl lactate 120.16
    diethyl carbonate 100.33
    propanediol butyl ether 66.85
    triethyl orthoformate 130.89
    p-tert-butyltoluene 49.61
    methyl 4-tert-butylbenzoate 205.6
    morpholine 185.61
    tert-butylamine 17.27
    n-dodecanol 16.47
    dimethoxymethane 110.32
    ethylene carbonate 172.93
    cyrene 177.08
    2-ethoxyethyl acetate 244.78
    2-ethylhexyl acetate 147.25
    1,2,4-trichlorobenzene 308.42
    4-methylpyridine 234.1
    dibutyl ether 98.52
    2,6-dimethyl-4-heptanol 29.44
    DEF 241.31
    dimethyl isosorbide 394.25
    tetrachloroethylene 303.44
    eugenol 143.45
    triacetin 293.58
    span 80 116.02
    1,4-butanediol 5.06
    1,1-dichloroethane 200.29
    2-methyl-1-pentanol 21.74
    methyl formate 47.51
    2-methyl-1-butanol 17.59
    n-decane 7.87
    butyronitrile 43.02
    3,7-dimethyl-1-octanol 42.04
    1-chlorooctane 52.3
    1-chlorotetradecane 16.87
    n-nonane 7.24
    undecane 4.86
    tert-butylcyclohexane 12.64
    cyclooctane 9.77
    cyclopentanol 65.06
    tetrahydropyran 189.43
    tert-amyl methyl ether 84.33
    2,5,8-trioxanonane 224.33
    1-hexene 20.94
    2-isopropoxyethanol 47.33
    2,2,2-trifluoroethanol 20.71
    methyl butyrate 193.03

    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