Nonanoyl chloride

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  • Identifiers

    CAS number
    764-85-2

    Molecular formula
    C9H17ClO

    SMILES
    CCCCCCCCC(=O)Cl

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 72.21%
    Waxy 58.81%
    Dairy 46.03%
    Cheesy 45.52%
    Citrus 43.46%
    Oily 41.03%
    Creamy 37.99%
    Milky 37.29%
    Fresh 35.22%
    Coconut 33.38%

     

    Flavor
    Fatty 40.35%
    Herbal 32.44%
    Waxy 29.35%
    Fat 28.35%
    Oily 25.96%
    Green 23.97%
    Mild 23.77%
    Slightly waxy 22.46%
    Cultured dairy 22.36%
    Bay oil 21.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.46 (neutral)

    Molecular weight
    176.68 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 89.6 ˚C est.

  • Synonyms

    • Nonanoyl chloride
    • 764-85-2
    • Nonanoylchloride
    • Pelargonoyl chloride
    • Nonanoic acid chloride
    • Pelargonyl chloride
    • n-Nonanoyl chloride
    • MFCD00000768
    • pelargonic acid chloride
    • C9H17ClO
    • DTXSID3042215
    • 0V0DUM0390
    • NSC-9829
    • Nonanoyl Chlorid
    • NSC 9829
    • NSC 9829; Nonanoic Acid Chloride; Pelargonic Acid Chloride; Pelargonoyl Chloride; Pelargonyl Chloride; n-Nonanoyl Chloride
    • EINECS 212-131-2
    • nonanic acid chloride
    • Nonanoyl chloride, 96%
    • SCHEMBL378269
    • UNII-0V0DUM0390
    • CHEMBL3189014
    • DTXCID1022215
    • NSC9829
    • Tox21_202869
    • SBB060014
    • AKOS009031353
    • HY-W127582
    • NCGC00260415-01
    • BP-31206
    • CAS-764-85-2
    • LS-13691
    • SY048776
    • DB-056068
    • N0372
    • N0813
    • NS00042495
    • ST51046274
    • D91690
    • Q27894139
    • F1905-6978
    • Nonanoyl chloride, Pelargonyl chloride, Pelargonic acid chloride
    • 764-85-2

  • Applications

    Nonanoyl chloride (CAS 764-85-2) is a reactive aliphatic acyl chloride used as an acylating reagent in organic synthesis. It is employed to form esters and amides, serving as an intermediate in the production of specialty lubricants and plasticizers through esterification with alcohols and polyols. It is also used to prepare nonanoate-containing fragrance and cosmetic ingredients via derivatization of alcohols or phenols. In coatings and inks, it can be used to introduce the nonanoyl group into resin systems or as a reactive intermediate in resin modification. In pharmaceutical chemistry, it is used as a synthetic intermediate for acylation steps to access amide and related intermediates. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2896.43
    methanol 2068.39
    isopropanol 3007.46
    water 0.06
    ethyl acetate 3343.4
    n-propanol 2376.11
    acetone 8759.9
    n-butanol 2177.76
    acetonitrile 2367.47
    DMF 5915.83
    toluene 1754.9
    isobutanol 2046.97
    1,4-dioxane 3586.16
    methyl acetate 2260.96
    THF 6811.61
    2-butanone 5244.75
    n-pentanol 1734.07
    sec-butanol 2450.56
    n-hexane 1287.38
    ethylene glycol 200.48
    NMP 4068.75
    cyclohexane 1129.84
    DMSO 6277.9
    n-butyl acetate 3332.44
    n-octanol 822.42
    chloroform 5198.08
    n-propyl acetate 2717.23
    acetic acid 1666.82
    dichloromethane 4704.17
    cyclohexanone 6993.1
    propylene glycol 484.92
    isopropyl acetate 2266.92
    DMAc 3090.23
    2-ethoxyethanol 1657.97
    isopentanol 2112.26
    n-heptane 442.3
    ethyl formate 1345.95
    1,2-dichloroethane 4089.6
    n-hexanol 1932.94
    2-methoxyethanol 2416.05
    isobutyl acetate 1628.7
    tetrachloromethane 1084.25
    n-pentyl acetate 1871.07
    transcutol 7282.47
    n-heptanol 756.21
    ethylbenzene 964.14
    MIBK 2263.17
    2-propoxyethanol 2383.31
    tert-butanol 3480.06
    MTBE 3894.52
    2-butoxyethanol 1258.12
    propionic acid 1490.82
    o-xylene 987.28
    formic acid 248.03
    diethyl ether 4042.51
    m-xylene 1176.74
    p-xylene 1286.96
    chlorobenzene 1952.23
    dimethyl carbonate 552.28
    n-octane 156.39
    formamide 547.09
    cyclopentanone 6582.2
    2-pentanone 4636.98
    anisole 1538.28
    cyclopentyl methyl ether 4089.83
    gamma-butyrolactone 4697.51
    1-methoxy-2-propanol 2354.99
    pyridine 3753.12
    3-pentanone 2782.92
    furfural 3118.52
    n-dodecane 79.23
    diethylene glycol 1101.99
    diisopropyl ether 1198.11
    tert-amyl alcohol 2632.8
    acetylacetone 3562.4
    n-hexadecane 98.4
    acetophenone 1491.42
    methyl propionate 2143.57
    isopentyl acetate 2614.71
    trichloroethylene 6572.4
    n-nonanol 683.28
    cyclohexanol 2679.56
    benzyl alcohol 1108.63
    2-ethylhexanol 1254.88
    isooctanol 690.04
    dipropyl ether 2137.37
    1,2-dichlorobenzene 1725.99
    ethyl lactate 625.69
    propylene carbonate 2157.19
    n-methylformamide 1833.69
    2-pentanol 1902.71
    n-pentane 593.6
    1-propoxy-2-propanol 2158.01
    1-methoxy-2-propyl acetate 2234.92
    2-(2-methoxypropoxy) propanol 1244.75
    mesitylene 794.93
    ε-caprolactone 3899.57
    p-cymene 544.45
    epichlorohydrin 4649.36
    1,1,1-trichloroethane 4392.99
    2-aminoethanol 662.0
    morpholine-4-carbaldehyde 3090.07
    sulfolane 5670.7
    2,2,4-trimethylpentane 226.62
    2-methyltetrahydrofuran 5517.19
    n-hexyl acetate 2175.81
    isooctane 197.62
    2-(2-butoxyethoxy)ethanol 1797.95
    sec-butyl acetate 1823.66
    tert-butyl acetate 2565.63
    decalin 412.84
    glycerin 514.9
    diglyme 3492.11
    acrylic acid 978.47
    isopropyl myristate 717.64
    n-butyric acid 2747.65
    acetyl acetate 1465.97
    di(2-ethylhexyl) phthalate 536.65
    ethyl propionate 1878.95
    nitromethane 3201.1
    1,2-diethoxyethane 3158.42
    benzonitrile 1836.05
    trioctyl phosphate 422.2
    1-bromopropane 2999.11
    gamma-valerolactone 5842.32
    n-decanol 466.19
    triethyl phosphate 617.05
    4-methyl-2-pentanol 1003.23
    propionitrile 2023.8
    vinylene carbonate 1660.36
    1,1,2-trichlorotrifluoroethane 2689.14
    DMS 1210.71
    cumene 586.6
    2-octanol 679.33
    2-hexanone 3498.78
    octyl acetate 857.93
    limonene 998.88
    1,2-dimethoxyethane 3652.29
    ethyl orthosilicate 648.15
    tributyl phosphate 600.06
    diacetone alcohol 2320.59
    N,N-dimethylaniline 996.28
    acrylonitrile 2100.45
    aniline 1642.18
    1,3-propanediol 1133.71
    bromobenzene 2289.91
    dibromomethane 3822.56
    1,1,2,2-tetrachloroethane 5363.71
    2-methyl-cyclohexyl acetate 1311.08
    tetrabutyl urea 825.78
    diisobutyl methanol 773.56
    2-phenylethanol 1182.09
    styrene 1294.69
    dioctyl adipate 1012.68
    dimethyl sulfate 1067.11
    ethyl butyrate 1861.11
    methyl lactate 699.43
    butyl lactate 1150.76
    diethyl carbonate 890.94
    propanediol butyl ether 1275.65
    triethyl orthoformate 1152.1
    p-tert-butyltoluene 545.64
    methyl 4-tert-butylbenzoate 1104.23
    morpholine 5305.61
    tert-butylamine 2312.76
    n-dodecanol 346.75
    dimethoxymethane 2383.57
    ethylene carbonate 1481.8
    cyrene 969.33
    2-ethoxyethyl acetate 1950.85
    2-ethylhexyl acetate 2090.32
    1,2,4-trichlorobenzene 1936.59
    4-methylpyridine 4065.24
    dibutyl ether 1979.67
    2,6-dimethyl-4-heptanol 773.56
    DEF 3845.26
    dimethyl isosorbide 2137.34
    tetrachloroethylene 3540.12
    eugenol 1036.56
    triacetin 1561.35
    span 80 1220.76
    1,4-butanediol 502.67
    1,1-dichloroethane 4850.1
    2-methyl-1-pentanol 1469.16
    methyl formate 1107.73
    2-methyl-1-butanol 1882.79
    n-decane 174.43
    butyronitrile 2731.05
    3,7-dimethyl-1-octanol 919.28
    1-chlorooctane 807.84
    1-chlorotetradecane 259.12
    n-nonane 201.57
    undecane 109.7
    tert-butylcyclohexane 382.43
    cyclooctane 316.08
    cyclopentanol 2689.01
    tetrahydropyran 6388.04
    tert-amyl methyl ether 2343.8
    2,5,8-trioxanonane 2019.24
    1-hexene 3064.98
    2-isopropoxyethanol 1454.19
    2,2,2-trifluoroethanol 433.81
    methyl butyrate 2912.51

    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