Acetyl chloride

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  • Identifiers

    CAS number
    75-36-5

    Molecular formula
    C2H3ClO

    SMILES
    CC(=O)Cl

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Sweet 55.33%
    Pungent 54.09%
    Caramellic 44.36%
    Sharp 44.21%
    Ethereal 42.29%
    Buttery 36.76%
    Burnt 36.69%
    Sour 35.73%
    Fruity 35.14%
    Creamy 34.01%

     

    Flavor
    Odorless 36.19%
    Pungent 29.57%
    Sour 26.85%
    Mousy 24.87%
    Vinegar 24.59%
    Sharp 23.82%
    Acidic 23.15%
    Soy 21.71%
    Formyl 21.31%
    Acetoin 20.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.78 (neutral)

    Molecular weight
    78.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -170 °F (NTP, 1992)
    • -112.7 °C
    • -112 °C

    Boiling point

    • 123.6 °F at 760 mmHg (NTP, 1992)
    • 51 °C

    Flash point

    • -4.0 ˚C est.
    • 40 °F (NTP, 1992)
    • 4 °C
    • 5 °C (41 °F) - closed cup
    • 4 °C (40 °F) - closed cup
    • 5 °C c.c.

    Solubility expt.

    • Reaction (NTP, 1992)
    • Decomposed violently by water or alcohol
    • Miscible with benzene, chloroform, ether, glacial acetic acid, petroleum ether
    • Miscible with ether, acetone, benzene, chloroform; soluble in carbon tetrachloride
    • Soluble in ether, acetone, acetic acid
    • Solubility in water: reaction

  • Synonyms

    • ACETYL CHLORIDE
    • 75-36-5
    • Ethanoyl chloride
    • Acetic chloride
    • Acetylchloride
    • Acetic acid chloride
    • CH3COCl
    • RCRA waste number U006
    • Acetic acid, chloride
    • CCRIS 4568
    • HSDB 662
    • CH3-CO-Cl
    • UNII-QD15RNO45K
    • EINECS 200-865-6
    • QD15RNO45K
    • BRN 0605303
    • Acetyl chloride-2-13C
    • MFCD00000719
    • DTXSID2023852
    • CHEBI:37580
    • EC 200-865-6
    • 4-02-00-00395 (Beilstein Handbook Reference)
    • Acetyl chloride, reagent grade, 98%
    • UN1717
    • RCRA waste no. U006
    • acetylchlorid
    • acetylchlorine
    • ETHANOIC ACID CHLORIDE
    • Acetic Acid Chloride; Acetic Chloride; Ethanoyl Chloride; AcCl
    • acetyl chlorid
    • acetyl chlorine
    • acetyl choride
    • acetyl cloride
    • actyl chloride
    • Acteyl chloride
    • AcCl
    • Ac-Cl
    • methyl carbonyl chloride
    • Acetic acid monochloride
    • ACETIC ACID,CHLORIDE
    • ACETYL CHLORIDE [MI]
    • ACETYL CHLORIDE [HSDB]
    • DTXCID203852
    • Ethanoyl chloride;Acetylchloride
    • UN1717 (DOT)
    • BCP31842
    • PDA18679
    • STR00115
    • STL264238
    • AKOS000121189
    • DB14623
    • UN 1717
    • Acetyl chloride, for synthesis, 98.0%
    • BP-13326
    • InChI=1/C2H3ClO/c1-2(3)4/h1H
    • Acetyl chloride, ReagentPlus(R), >=99%
    • A0082
    • NS00002086
    • EN300-18986
    • Acetyl chloride [UN1717] [Flammable liquid]
    • Acetyl chloride, puriss. p.a., >=99.0% (T)
    • Q408038
    • F2190-0010
    • 200-865-6

  • Applications

    Acetyl chloride is primarily used as an acetylating reagent in organic synthesis, enabling the introduction of acetyl groups to alcohols and amines to form esters and amides, supporting pharmaceutical manufacture, fragrance and flavor chemistry, and other fine-chemical applications. It is a key feedstock for cellulose acetate production by acetylating cellulose, supporting polymer and fiber materials. It is employed in coatings, inks, and adhesives formulation to modify polymer properties through acetylation. It serves as a precursor for the synthesis of intermediates for agrochemicals and a range of other organic compounds, and as a precursor to other acylating reagents and specialty acetylated materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 446.35
    methanol 656.67
    isopropanol 361.97
    water 355.64
    ethyl acetate 351.2
    n-propanol 294.3
    acetone 862.28
    n-butanol 242.41
    acetonitrile 654.59
    DMF 1618.53
    toluene 187.11
    isobutanol 219.06
    1,4-dioxane 574.81
    methyl acetate 485.64
    THF 546.28
    2-butanone 473.52
    n-pentanol 169.73
    sec-butanol 275.44
    n-hexane 59.07
    ethylene glycol 254.08
    NMP 1421.57
    cyclohexane 54.24
    DMSO 837.97
    n-butyl acetate 132.22
    n-octanol 139.59
    chloroform 512.72
    n-propyl acetate 188.77
    acetic acid 665.23
    dichloromethane 504.3
    cyclohexanone 466.07
    propylene glycol 236.73
    isopropyl acetate 201.83
    DMAc 1634.11
    2-ethoxyethanol 411.65
    isopentanol 192.83
    n-heptane 35.23
    ethyl formate 340.47
    1,2-dichloroethane 323.01
    n-hexanol 131.16
    2-methoxyethanol 738.25
    isobutyl acetate 110.51
    tetrachloromethane 115.1
    n-pentyl acetate 123.74
    transcutol 700.76
    n-heptanol 82.25
    ethylbenzene 107.19
    MIBK 188.79
    2-propoxyethanol 302.04
    tert-butanol 382.99
    MTBE 318.35
    2-butoxyethanol 181.25
    propionic acid 345.77
    o-xylene 171.9
    formic acid 455.2
    diethyl ether 295.98
    m-xylene 138.87
    p-xylene 159.27
    chlorobenzene 206.54
    dimethyl carbonate 275.4
    n-octane 20.65
    formamide 582.33
    cyclopentanone 556.88
    2-pentanone 325.72
    anisole 289.86
    cyclopentyl methyl ether 306.76
    gamma-butyrolactone 663.62
    1-methoxy-2-propanol 521.85
    pyridine 410.31
    3-pentanone 295.04
    furfural 733.49
    n-dodecane 21.62
    diethylene glycol 319.76
    diisopropyl ether 104.88
    tert-amyl alcohol 315.8
    acetylacetone 449.03
    n-hexadecane 23.06
    acetophenone 282.01
    methyl propionate 359.74
    isopentyl acetate 114.01
    trichloroethylene 576.18
    n-nonanol 122.11
    cyclohexanol 234.82
    benzyl alcohol 228.35
    2-ethylhexanol 89.75
    isooctanol 70.3
    dipropyl ether 125.61
    1,2-dichlorobenzene 201.84
    ethyl lactate 139.28
    propylene carbonate 343.76
    n-methylformamide 687.32
    2-pentanol 177.54
    n-pentane 60.65
    1-propoxy-2-propanol 203.65
    1-methoxy-2-propyl acetate 183.96
    2-(2-methoxypropoxy) propanol 252.81
    mesitylene 92.24
    ε-caprolactone 385.82
    p-cymene 61.1
    epichlorohydrin 522.33
    1,1,1-trichloroethane 333.04
    2-aminoethanol 311.18
    morpholine-4-carbaldehyde 1087.32
    sulfolane 670.91
    2,2,4-trimethylpentane 38.89
    2-methyltetrahydrofuran 414.37
    n-hexyl acetate 199.42
    isooctane 22.48
    2-(2-butoxyethoxy)ethanol 288.7
    sec-butyl acetate 124.2
    tert-butyl acetate 204.17
    decalin 38.62
    glycerin 332.8
    diglyme 512.52
    acrylic acid 381.15
    isopropyl myristate 91.02
    n-butyric acid 293.73
    acetyl acetate 257.37
    di(2-ethylhexyl) phthalate 97.72
    ethyl propionate 211.75
    nitromethane 1214.48
    1,2-diethoxyethane 219.39
    benzonitrile 271.74
    trioctyl phosphate 66.12
    1-bromopropane 200.66
    gamma-valerolactone 854.24
    n-decanol 94.96
    triethyl phosphate 89.47
    4-methyl-2-pentanol 110.97
    propionitrile 306.74
    vinylene carbonate 357.65
    1,1,2-trichlorotrifluoroethane 470.48
    DMS 230.72
    cumene 78.56
    2-octanol 74.37
    2-hexanone 209.82
    octyl acetate 121.13
    limonene 93.51
    1,2-dimethoxyethane 657.05
    ethyl orthosilicate 85.42
    tributyl phosphate 84.47
    diacetone alcohol 282.53
    N,N-dimethylaniline 241.22
    acrylonitrile 431.75
    aniline 258.91
    1,3-propanediol 324.34
    bromobenzene 182.18
    dibromomethane 319.73
    1,1,2,2-tetrachloroethane 428.34
    2-methyl-cyclohexyl acetate 109.72
    tetrabutyl urea 136.29
    diisobutyl methanol 61.31
    2-phenylethanol 141.3
    styrene 140.02
    dioctyl adipate 132.67
    dimethyl sulfate 469.43
    ethyl butyrate 126.38
    methyl lactate 255.0
    butyl lactate 116.53
    diethyl carbonate 105.48
    propanediol butyl ether 224.47
    triethyl orthoformate 105.65
    p-tert-butyltoluene 64.84
    methyl 4-tert-butylbenzoate 210.89
    morpholine 583.12
    tert-butylamine 245.43
    n-dodecanol 76.66
    dimethoxymethane 665.19
    ethylene carbonate 278.67
    cyrene 253.2
    2-ethoxyethyl acetate 191.38
    2-ethylhexyl acetate 96.92
    1,2,4-trichlorobenzene 269.95
    4-methylpyridine 537.17
    dibutyl ether 136.29
    2,6-dimethyl-4-heptanol 61.31
    DEF 523.36
    dimethyl isosorbide 311.15
    tetrachloroethylene 289.65
    eugenol 211.91
    triacetin 269.41
    span 80 194.64
    1,4-butanediol 159.83
    1,1-dichloroethane 384.86
    2-methyl-1-pentanol 153.07
    methyl formate 583.05
    2-methyl-1-butanol 206.66
    n-decane 31.59
    butyronitrile 260.91
    3,7-dimethyl-1-octanol 118.74
    1-chlorooctane 88.49
    1-chlorotetradecane 43.97
    n-nonane 31.66
    undecane 25.19
    tert-butylcyclohexane 39.67
    cyclooctane 23.83
    cyclopentanol 272.99
    tetrahydropyran 343.9
    tert-amyl methyl ether 267.61
    2,5,8-trioxanonane 377.25
    1-hexene 127.21
    2-isopropoxyethanol 270.15
    2,2,2-trifluoroethanol 369.71
    methyl butyrate 258.49

    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