Palmitoyl chloride

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  • Identifiers

    CAS number
    112-67-4

    Molecular formula
    C16H31ClO

    SMILES
    CCCCCCCCCCCCCCCC(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 71.32%
    Waxy 70.42%
    Oily 42.38%
    Dairy 30.05%
    Creamy 29.26%
    Odorless 28.23%
    Meaty 27.18%
    Milky 26.75%
    Savory 24.62%
    Soapy 23.91%

     

    Flavor
    Fatty 39.05%
    Waxy 34.43%
    Mild 30.75%
    Bland 30.12%
    Fat 28.31%
    Faint 27.13%
    Odorless 25.66%
    Slightly waxy 24.8%
    Bay oil 22.74%
    Delicate 22.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.08 (neutral)

    Molecular weight
    274.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 11-12 °C

    Boiling point

    • 199 °C @ 20 MM HG
    • BOILING POINT: 194.5 °C AT 17 MM HG

    Flash point

    • 150.47 ˚C est.

    Solubility expt.

    • VERY SOL IN ETHER

  • Synonyms

    • Palmitoyl chloride
    • HEXADECANOYL CHLORIDE
    • 112-67-4
    • Palmitic acid chloride
    • Hexadecanoyl-chloride-
    • Hexadecanoic acid, chloride
    • UNII-7642R2JOSB
    • HSDB 5573
    • NSC 9854
    • NSC-9854
    • EINECS 203-996-7
    • MFCD00000742
    • AI3-52614
    • 7642R2JOSB
    • DTXSID4051582
    • EC 203-996-7
    • HEXADECANOYL CHLORIDE [HSDB]
    • palmitoylchloride
    • Palmitic chloride
    • Hexadecanoylchloride
    • Hexadecanoic Acid Chloride; NSC 9854; Palmitic Acid Chloride; Palmitic Chloride; Palmityl Acid Chloride
    • n-hexadecanoyl chloride
    • 1-hexadecanoyl chloride
    • hexadecanoic acid chloride
    • Palmitoyl chloride, 98%
    • SCHEMBL154949
    • DTXCID8030134
    • NSC9854
    • STL280337
    • AKOS009031460
    • FS-4452
    • HY-W539876
    • Hexadecanoyl chloride Palmitoyl chloride
    • FP166943
    • Palm acetyl chlorine(14 acetyl chlorine)
    • NS00001712
    • P0009
    • Palmitoyl chloride, purum, >=97.0% (GC)
    • A802629
    • Q27266453
    • F0001-0260
    • 203-996-7

  • Applications

    Palmitoyl chloride (CAS 112-67-4) is a reactive acyl chloride used to introduce palmitoyl groups by acylation of alcohols, amines, or other nucleophiles. In cosmetics and personal care, it is employed to prepare palmitoyl derivatives such as palmitoyl esters and palmitoyl peptides, providing conditioning benefits, improved texture, and stability. It also serves as an industrial intermediate in pharmaceutical synthesis and in lipid-conjugated drug derivatives. In polymers and coatings, palmitoyl chloride is used as a building block for surface modification or as an acylating component in resin and paint formulations. Additionally, it may be considered a precursor for long-chain fragrance materials in the fragrance industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.98
    methanol 56.98
    isopropanol 192.41
    water 0.01
    ethyl acetate 830.97
    n-propanol 164.36
    acetone 607.24
    n-butanol 217.73
    acetonitrile 162.17
    DMF 955.6
    toluene 419.28
    isobutanol 197.9
    1,4-dioxane 751.54
    methyl acetate 459.39
    THF 2067.93
    2-butanone 805.95
    n-pentanol 196.22
    sec-butanol 234.74
    n-hexane 190.48
    ethylene glycol 5.38
    NMP 1604.19
    cyclohexane 568.06
    DMSO 768.85
    n-butyl acetate 1140.13
    n-octanol 229.07
    chloroform 1831.7
    n-propyl acetate 1027.26
    acetic acid 150.11
    dichloromethane 1778.31
    cyclohexanone 2191.6
    propylene glycol 27.18
    isopropyl acetate 859.45
    DMAc 1172.08
    2-ethoxyethanol 294.35
    isopentanol 305.02
    n-heptane 204.65
    ethyl formate 304.54
    1,2-dichloroethane 1433.41
    n-hexanol 246.77
    2-methoxyethanol 301.82
    isobutyl acetate 732.34
    tetrachloromethane 462.16
    n-pentyl acetate 1150.08
    transcutol 1748.22
    n-heptanol 195.74
    ethylbenzene 331.94
    MIBK 819.6
    2-propoxyethanol 420.49
    tert-butanol 389.72
    MTBE 791.64
    2-butoxyethanol 421.89
    propionic acid 188.33
    o-xylene 376.7
    formic acid 14.88
    diethyl ether 613.11
    m-xylene 358.23
    p-xylene 509.92
    chlorobenzene 678.6
    dimethyl carbonate 156.0
    n-octane 76.83
    formamide 39.73
    cyclopentanone 2105.79
    2-pentanone 949.02
    anisole 615.71
    cyclopentyl methyl ether 1350.71
    gamma-butyrolactone 1646.91
    1-methoxy-2-propanol 409.02
    pyridine 980.27
    3-pentanone 720.31
    furfural 1085.24
    n-dodecane 37.43
    diethylene glycol 125.41
    diisopropyl ether 380.66
    tert-amyl alcohol 415.89
    acetylacetone 1089.18
    n-hexadecane 48.22
    acetophenone 734.88
    methyl propionate 535.22
    isopentyl acetate 1084.24
    trichloroethylene 2375.84
    n-nonanol 237.26
    cyclohexanol 575.66
    benzyl alcohol 308.79
    2-ethylhexanol 332.37
    isooctanol 249.58
    dipropyl ether 910.5
    1,2-dichlorobenzene 849.94
    ethyl lactate 255.17
    propylene carbonate 929.41
    n-methylformamide 193.37
    2-pentanol 256.17
    n-pentane 101.18
    1-propoxy-2-propanol 566.29
    1-methoxy-2-propyl acetate 866.5
    2-(2-methoxypropoxy) propanol 450.09
    mesitylene 313.27
    ε-caprolactone 1583.44
    p-cymene 306.81
    epichlorohydrin 1750.21
    1,1,1-trichloroethane 1839.28
    2-aminoethanol 31.34
    morpholine-4-carbaldehyde 1145.11
    sulfolane 2482.99
    2,2,4-trimethylpentane 86.67
    2-methyltetrahydrofuran 1613.96
    n-hexyl acetate 1084.79
    isooctane 62.35
    2-(2-butoxyethoxy)ethanol 590.68
    sec-butyl acetate 842.68
    tert-butyl acetate 1145.54
    decalin 215.89
    glycerin 42.09
    diglyme 1372.74
    acrylic acid 113.52
    isopropyl myristate 434.79
    n-butyric acid 551.7
    acetyl acetate 502.7
    di(2-ethylhexyl) phthalate 250.47
    ethyl propionate 822.41
    nitromethane 432.17
    1,2-diethoxyethane 1169.25
    benzonitrile 499.05
    trioctyl phosphate 207.16
    1-bromopropane 928.71
    gamma-valerolactone 2135.77
    n-decanol 158.83
    triethyl phosphate 453.08
    4-methyl-2-pentanol 207.34
    propionitrile 249.46
    vinylene carbonate 622.84
    1,1,2-trichlorotrifluoroethane 900.91
    DMS 526.66
    cumene 256.5
    2-octanol 216.15
    2-hexanone 923.68
    octyl acetate 470.57
    limonene 603.32
    1,2-dimethoxyethane 1108.39
    ethyl orthosilicate 461.65
    tributyl phosphate 301.4
    diacetone alcohol 773.66
    N,N-dimethylaniline 471.16
    acrylonitrile 240.57
    aniline 340.22
    1,3-propanediol 85.21
    bromobenzene 868.93
    dibromomethane 1252.04
    1,1,2,2-tetrachloroethane 2379.57
    2-methyl-cyclohexyl acetate 840.01
    tetrabutyl urea 473.66
    diisobutyl methanol 295.97
    2-phenylethanol 341.33
    styrene 405.01
    dioctyl adipate 609.49
    dimethyl sulfate 373.71
    ethyl butyrate 1122.59
    methyl lactate 175.91
    butyl lactate 540.69
    diethyl carbonate 528.27
    propanediol butyl ether 320.18
    triethyl orthoformate 790.54
    p-tert-butyltoluene 296.67
    methyl 4-tert-butylbenzoate 709.59
    morpholine 1072.05
    tert-butylamine 315.3
    n-dodecanol 118.61
    dimethoxymethane 524.22
    ethylene carbonate 616.92
    cyrene 475.64
    2-ethoxyethyl acetate 954.91
    2-ethylhexyl acetate 980.31
    1,2,4-trichlorobenzene 983.47
    4-methylpyridine 1067.77
    dibutyl ether 921.3
    2,6-dimethyl-4-heptanol 295.97
    DEF 1144.85
    dimethyl isosorbide 1153.64
    tetrachloroethylene 1405.94
    eugenol 482.37
    triacetin 904.92
    span 80 468.26
    1,4-butanediol 42.34
    1,1-dichloroethane 1338.68
    2-methyl-1-pentanol 253.74
    methyl formate 139.79
    2-methyl-1-butanol 259.34
    n-decane 91.05
    butyronitrile 399.47
    3,7-dimethyl-1-octanol 310.52
    1-chlorooctane 423.0
    1-chlorotetradecane 135.33
    n-nonane 94.52
    undecane 54.05
    tert-butylcyclohexane 164.22
    cyclooctane 162.51
    cyclopentanol 515.84
    tetrahydropyran 1441.51
    tert-amyl methyl ether 713.02
    2,5,8-trioxanonane 836.61
    1-hexene 414.85
    2-isopropoxyethanol 331.1
    2,2,2-trifluoroethanol 70.8
    methyl butyrate 1184.53

    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