Pivaloyl chloride

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  • Identifiers

    CAS number
    3282-30-2

    Molecular formula
    C5H9ClO

    SMILES
    CC(C)(C)C(=O)Cl

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Cheesy 41.94%
    Fruity 34.55%
    Herbal 34.13%
    Sour 33.37%
    Pungent 30.06%
    Mint 28.92%
    Camphoreous 28.62%
    Sweaty 25.02%
    Ketonic 24.98%
    Fresh 20.0%

     

    Flavor
    Green 37.7%
    Fruity 27.32%
    Herbal 25.84%
    Pungent 22.96%
    Tropical 22.85%
    Berry 22.47%
    Acrid 20.54%
    Cat-urine 20.51%
    Grape skin 20.27%
    Cheese 20.25%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.26 (neutral)

    Molecular weight
    120.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 105-106 °F

    Flash point

    • 27.83 ˚C est.
    • 48 °F

  • Synonyms

    • Pivaloyl chloride
    • 3282-30-2
    • Trimethylacetyl chloride
    • 2,2-DIMETHYLPROPANOYL CHLORIDE
    • Propanoyl chloride, 2,2-dimethyl-
    • Pivalyl chloride
    • Pivalolyl chloride
    • 2,2-Dimethylpropionyl chloride
    • Pivalic acid chloride
    • pivalic chloride
    • UNII-JQ82J0O21T
    • Neopentanoyl chloride
    • JQ82J0O21T
    • 2,2,2-trimethylacetyl chloride
    • 2,2-dimethyl-propionyl chloride
    • DTXSID4027529
    • EINECS 221-921-6
    • UN2438
    • tert-butylcarbonyl chloride
    • Acetyl chloride, trimethyl-
    • DTXCID907529
    • EC 221-921-6
    • 2,2-dimethylpropionic acid chloride
    • UN 2438
    • pivaloylchloride
    • pivaloylchlorid
    • PivCl
    • pivaloyl-chloride
    • 2,2-Dimethyl-propanoyl chloride
    • tBuCOCl
    • Piv-Cl
    • t-BuCOCl
    • PVCL
    • trimethylacetylchloride
    • trimethylacetyl choride
    • trimehtylacetyl chloride
    • trimethyl acetylchloride
    • Trimethylacetyl-chloride
    • t-butylcarbonyl chloride
    • trimethylacetoyl chloride
    • Trimethyl acetyl chloride
    • (CH3)3CCOCl
    • SCHEMBL1404
    • trimethylacetic acid chloride
    • 2,2-dimethylpropanoylchloride
    • 2,2-dimethylpropionylchloride
    • 2,2dimethylpropanoyl chloride
    • 2,2,2-trimethylacetylchloride
    • Trimethylacetyl chloride, 99%
    • TERT-BUTYL CHLORO KETONE
    • 2,2-dimethyl propanoyl chloride
    • CHEMBL3183814
    • Propanoyl chloride, 2,2dimethyl
    • 2,2-dimethylpropionicacid cloride
    • STR00119
    • Tox21_200646
    • BBL011382
    • MFCD00000709
    • STL146483
    • 2,2-Dimethyl-propionic acid chloride
    • AKOS000121190
    • RP10150
    • NCGC00248779-01
    • NCGC00258200-01
    • 1,1-DIMETHYLETHANECARBONYL CHLORIDE
    • CAS-3282-30-2
    • NS00009042
    • P0677
    • Pivaloyl chloride, purum, >=98.0% (GC)
    • EN300-19178
    • Trimethylacetyl chloride [UN2438] [Poison]
    • A821441
    • Q2017164
    • F2190-0014
    • 221-921-6

  • Applications

    Pivaloyl chloride (CAS 3282-30-2) is a reactive acylating reagent used in organic synthesis to form pivaloyl esters and pivaloyl amides, enabling protection of alcohol and amine functionalities and facilitating subsequent transformations. It is commonly employed as an intermediate in pharmaceutical and agrochemical synthesis, where the bulky tert-butyl acyl group can influence reactivity and selectivity. In polymer and coatings chemistry, it serves to introduce bulky pivaloyl groups onto monomers or polymers or to functionalize surfaces, supporting crosslinking and formulation performance. It may also be used to prepare specialty intermediates for downstream processes in coatings/inks and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 483.27
    methanol 425.8
    isopropanol 494.24
    water 15.1
    ethyl acetate 603.04
    n-propanol 411.26
    acetone 853.21
    n-butanol 402.53
    acetonitrile 689.99
    DMF 1004.68
    toluene 391.92
    isobutanol 376.53
    1,4-dioxane 646.12
    methyl acetate 697.32
    THF 799.24
    2-butanone 750.72
    n-pentanol 303.92
    sec-butanol 514.85
    n-hexane 177.04
    ethylene glycol 138.64
    NMP 1142.21
    cyclohexane 177.98
    DMSO 566.94
    n-butyl acetate 525.77
    n-octanol 358.3
    chloroform 2166.31
    n-propyl acetate 456.73
    acetic acid 743.56
    dichloromethane 1357.11
    cyclohexanone 886.82
    propylene glycol 209.61
    isopropyl acetate 468.71
    DMAc 1000.88
    2-ethoxyethanol 393.63
    isopentanol 398.63
    n-heptane 126.31
    ethyl formate 417.89
    1,2-dichloroethane 735.05
    n-hexanol 410.87
    2-methoxyethanol 526.13
    isobutyl acetate 296.39
    tetrachloromethane 641.68
    n-pentyl acetate 396.82
    transcutol 988.04
    n-heptanol 312.76
    ethylbenzene 336.31
    MIBK 411.92
    2-propoxyethanol 478.69
    tert-butanol 722.65
    MTBE 640.72
    2-butoxyethanol 420.16
    propionic acid 521.92
    o-xylene 368.86
    formic acid 322.86
    diethyl ether 439.37
    m-xylene 362.44
    p-xylene 576.65
    chlorobenzene 552.43
    dimethyl carbonate 259.88
    n-octane 68.71
    formamide 474.56
    cyclopentanone 957.96
    2-pentanone 604.95
    anisole 532.68
    cyclopentyl methyl ether 525.1
    gamma-butyrolactone 1037.34
    1-methoxy-2-propanol 492.75
    pyridine 664.95
    3-pentanone 502.76
    furfural 939.05
    n-dodecane 47.03
    diethylene glycol 311.63
    diisopropyl ether 257.93
    tert-amyl alcohol 733.37
    acetylacetone 717.58
    n-hexadecane 52.95
    acetophenone 614.84
    methyl propionate 479.34
    isopentyl acetate 510.02
    trichloroethylene 1940.12
    n-nonanol 297.6
    cyclohexanol 471.34
    benzyl alcohol 371.32
    2-ethylhexanol 335.66
    isooctanol 270.29
    dipropyl ether 329.73
    1,2-dichlorobenzene 656.25
    ethyl lactate 241.32
    propylene carbonate 730.03
    n-methylformamide 558.15
    2-pentanol 415.05
    n-pentane 137.4
    1-propoxy-2-propanol 439.44
    1-methoxy-2-propyl acetate 469.24
    2-(2-methoxypropoxy) propanol 419.96
    mesitylene 285.89
    ε-caprolactone 787.18
    p-cymene 269.23
    epichlorohydrin 857.93
    1,1,1-trichloroethane 1484.35
    2-aminoethanol 259.05
    morpholine-4-carbaldehyde 892.23
    sulfolane 1079.34
    2,2,4-trimethylpentane 119.68
    2-methyltetrahydrofuran 784.25
    n-hexyl acetate 606.06
    isooctane 89.94
    2-(2-butoxyethoxy)ethanol 489.78
    sec-butyl acetate 373.14
    tert-butyl acetate 598.21
    decalin 129.15
    glycerin 250.71
    diglyme 846.55
    acrylic acid 509.7
    isopropyl myristate 232.69
    n-butyric acid 630.97
    acetyl acetate 504.11
    di(2-ethylhexyl) phthalate 217.13
    ethyl propionate 415.04
    nitromethane 1126.85
    1,2-diethoxyethane 422.37
    benzonitrile 542.42
    trioctyl phosphate 163.75
    1-bromopropane 511.46
    gamma-valerolactone 1000.76
    n-decanol 211.26
    triethyl phosphate 218.23
    4-methyl-2-pentanol 267.9
    propionitrile 477.13
    vinylene carbonate 651.78
    1,1,2-trichlorotrifluoroethane 899.01
    DMS 393.32
    cumene 281.9
    2-octanol 287.06
    2-hexanone 508.09
    octyl acetate 292.57
    limonene 361.96
    1,2-dimethoxyethane 629.65
    ethyl orthosilicate 229.96
    tributyl phosphate 203.9
    diacetone alcohol 601.05
    N,N-dimethylaniline 468.15
    acrylonitrile 590.76
    aniline 381.32
    1,3-propanediol 323.7
    bromobenzene 601.24
    dibromomethane 970.5
    1,1,2,2-tetrachloroethane 1559.98
    2-methyl-cyclohexyl acetate 388.94
    tetrabutyl urea 259.61
    diisobutyl methanol 232.72
    2-phenylethanol 408.33
    styrene 359.04
    dioctyl adipate 303.66
    dimethyl sulfate 436.63
    ethyl butyrate 415.95
    methyl lactate 282.87
    butyl lactate 345.54
    diethyl carbonate 294.54
    propanediol butyl ether 453.68
    triethyl orthoformate 297.38
    p-tert-butyltoluene 291.55
    methyl 4-tert-butylbenzoate 562.32
    morpholine 708.21
    tert-butylamine 542.71
    n-dodecanol 162.2
    dimethoxymethane 460.16
    ethylene carbonate 481.14
    cyrene 417.47
    2-ethoxyethyl acetate 423.33
    2-ethylhexyl acetate 426.41
    1,2,4-trichlorobenzene 814.83
    4-methylpyridine 808.26
    dibutyl ether 322.41
    2,6-dimethyl-4-heptanol 232.72
    DEF 667.81
    dimethyl isosorbide 631.36
    tetrachloroethylene 1118.37
    eugenol 461.33
    triacetin 519.45
    span 80 406.42
    1,4-butanediol 170.63
    1,1-dichloroethane 1096.11
    2-methyl-1-pentanol 343.54
    methyl formate 440.69
    2-methyl-1-butanol 408.27
    n-decane 82.26
    butyronitrile 488.12
    3,7-dimethyl-1-octanol 326.56
    1-chlorooctane 274.95
    1-chlorotetradecane 111.07
    n-nonane 85.63
    undecane 58.97
    tert-butylcyclohexane 151.26
    cyclooctane 81.81
    cyclopentanol 500.99
    tetrahydropyran 607.89
    tert-amyl methyl ether 558.31
    2,5,8-trioxanonane 558.55
    1-hexene 369.43
    2-isopropoxyethanol 337.58
    2,2,2-trifluoroethanol 418.08
    methyl butyrate 532.89

    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