Butyryl chloride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    141-75-3

    Molecular formula
    C4H7ClO

    SMILES
    CCCC(=O)Cl

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 73.19%
    Cheesy 65.69%
    Buttery 44.87%
    Caramellic 43.11%
    Sweet 42.8%
    Pungent 40.44%
    Dairy 37.96%
    Sour 37.95%
    Fatty 37.43%
    Nutty 34.57%

     

    Flavor
    Cheese 40.06%
    Sour 29.26%
    Acidic 28.76%
    Sweat 27.7%
    Fruity 27.13%
    Sulfury 24.83%
    Pungent 24.47%
    Animal 24.14%
    Odorless 23.67%
    Rancid 23.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.84 (neutral)

    Molecular weight
    106.55 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -128 °F (NTP, 1992)
    • -89 °C

    Boiling point

    • 216 °F at 760 mmHg (NTP, 1992)
    • 101-102 °C

    Flash point

    • 21.45 ˚C est.
    • 71 °F (NTP, 1992)
    • 18 °C (64 °F) - closed cup

    Solubility expt.

    • Reaction (NTP, 1992)
    • Dissolves slowly with decomposition in water
    • Dissolves slowly with decomposition in alcohol; miscible with ether

  • Synonyms

    • Butyryl chloride
    • Butanoyl chloride
    • 141-75-3
    • N-BUTYRYL CHLORIDE
    • Butyrylchloride
    • Butyric acid chloride
    • Butyric chloride
    • Butyroyl chloride
    • CCRIS 5989
    • n-Butyric acid chloride
    • HSDB 6016
    • UNII-2XVM8E16IR
    • EINECS 205-498-5
    • UN2353
    • DTXSID5024710
    • N-BUTANOYL CHLORIDE
    • 2XVM8E16IR
    • DTXCID104710
    • N-BUTYRYL CHLORIDE [MI]
    • EC 205-498-5
    • N-BUTYRYL CHLORIDE [HSDB]
    • UN 2353
    • butryl chloride
    • butyroylchloride
    • n-PrCOCl
    • MFCD00000752
    • butanoic acid chloride
    • BUTYROL CHLORIDE
    • methylpropionyl chloride
    • Butyryl chloride, 98%
    • SCHEMBL2819
    • Butyryl chloride, >=99%
    • propanecarboxylic acid chloride
    • CHEMBL1300263
    • Tox21_200294
    • BBL011417
    • STL146523
    • AKOS000121193
    • FB34825
    • HY-W245950
    • NCGC00091749-01
    • NCGC00091749-02
    • NCGC00257848-01
    • CAS-141-75-3
    • VS-02944
    • B0770
    • NS00003156
    • EN300-19257
    • Butyryl chloride [UN2353] [Flammable liquid]
    • Q5003202
    • F2190-0011
    • 205-498-5

  • Applications

    Butyryl chloride (CAS 141-75-3) is a versatile acylating reagent used in organic synthesis to introduce a butyryl group into molecules, enabling the formation of butyrate esters and amide derivatives. Common applications include: (1) preparing butyrate esters by reacting with alcohols for fragrance and flavor ingredients used in perfumery and flavor formulations; (2) serving as an intermediate in the synthesis of pharmaceutical and agrochemical compounds via amide formation and other acyl derivatives; (3) functionalizing polymers and resins for coatings, paints, and inks by acylation to tailor properties; (4) supplying intermediates for fragrance and cosmetic ingredients in personal care products. These uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1292.83
    methanol 1283.28
    isopropanol 1039.9
    water 12.43
    ethyl acetate 1593.16
    n-propanol 991.37
    acetone 2893.46
    n-butanol 980.5
    acetonitrile 1907.47
    DMF 3524.09
    toluene 582.18
    isobutanol 782.32
    1,4-dioxane 1809.54
    methyl acetate 1498.75
    THF 2682.93
    2-butanone 1728.46
    n-pentanol 731.66
    sec-butanol 987.04
    n-hexane 305.33
    ethylene glycol 397.35
    NMP 3564.55
    cyclohexane 451.61
    DMSO 3121.9
    n-butyl acetate 1500.68
    n-octanol 685.4
    chloroform 2978.57
    n-propyl acetate 1039.45
    acetic acid 4136.43
    dichloromethane 2504.34
    cyclohexanone 2716.47
    propylene glycol 517.97
    isopropyl acetate 948.68
    DMAc 2144.69
    2-ethoxyethanol 913.6
    isopentanol 806.91
    n-heptane 209.03
    ethyl formate 1138.8
    1,2-dichloroethane 1688.99
    n-hexanol 945.47
    2-methoxyethanol 1505.33
    isobutyl acetate 569.89
    tetrachloromethane 465.5
    n-pentyl acetate 957.43
    transcutol 3420.54
    n-heptanol 444.15
    ethylbenzene 420.61
    MIBK 869.15
    2-propoxyethanol 1304.74
    tert-butanol 1221.0
    MTBE 969.5
    2-butoxyethanol 660.82
    propionic acid 1534.1
    o-xylene 482.41
    formic acid 997.25
    diethyl ether 1079.2
    m-xylene 487.5
    p-xylene 629.5
    chlorobenzene 1228.79
    dimethyl carbonate 584.14
    n-octane 98.09
    formamide 1217.22
    cyclopentanone 2877.36
    2-pentanone 1656.58
    anisole 838.2
    cyclopentyl methyl ether 1381.95
    gamma-butyrolactone 3179.56
    1-methoxy-2-propanol 1247.22
    pyridine 1846.75
    3-pentanone 1183.36
    furfural 2760.65
    n-dodecane 85.12
    diethylene glycol 939.31
    diisopropyl ether 407.48
    tert-amyl alcohol 1021.54
    acetylacetone 1947.98
    n-hexadecane 97.59
    acetophenone 1003.24
    methyl propionate 1207.57
    isopentyl acetate 1146.88
    trichloroethylene 3719.62
    n-nonanol 557.16
    cyclohexanol 1315.64
    benzyl alcohol 675.61
    2-ethylhexanol 618.9
    isooctanol 348.5
    dipropyl ether 698.11
    1,2-dichlorobenzene 1206.04
    ethyl lactate 454.67
    propylene carbonate 1898.23
    n-methylformamide 1630.67
    2-pentanol 834.71
    n-pentane 240.21
    1-propoxy-2-propanol 1105.19
    1-methoxy-2-propyl acetate 1109.18
    2-(2-methoxypropoxy) propanol 830.92
    mesitylene 340.76
    ε-caprolactone 2222.65
    p-cymene 329.99
    epichlorohydrin 2547.59
    1,1,1-trichloroethane 1979.96
    2-aminoethanol 612.3
    morpholine-4-carbaldehyde 2503.34
    sulfolane 3834.88
    2,2,4-trimethylpentane 122.05
    2-methyltetrahydrofuran 2207.12
    n-hexyl acetate 1630.59
    isooctane 95.24
    2-(2-butoxyethoxy)ethanol 1139.41
    sec-butyl acetate 650.37
    tert-butyl acetate 1066.65
    decalin 207.01
    glycerin 640.88
    diglyme 1696.23
    acrylic acid 1631.5
    isopropyl myristate 497.51
    n-butyric acid 1924.74
    acetyl acetate 1184.12
    di(2-ethylhexyl) phthalate 430.49
    ethyl propionate 847.48
    nitromethane 4526.3
    1,2-diethoxyethane 1217.8
    benzonitrile 1284.69
    trioctyl phosphate 349.09
    1-bromopropane 1066.95
    gamma-valerolactone 3088.7
    n-decanol 405.05
    triethyl phosphate 377.11
    4-methyl-2-pentanol 423.44
    propionitrile 1078.07
    vinylene carbonate 1745.21
    1,1,2-trichlorotrifluoroethane 1979.3
    DMS 1034.57
    cumene 310.74
    2-octanol 442.39
    2-hexanone 1140.73
    octyl acetate 667.1
    limonene 574.48
    1,2-dimethoxyethane 1549.07
    ethyl orthosilicate 361.04
    tributyl phosphate 497.08
    diacetone alcohol 1184.92
    N,N-dimethylaniline 605.82
    acrylonitrile 1509.18
    aniline 755.43
    1,3-propanediol 878.04
    bromobenzene 1229.38
    dibromomethane 1775.71
    1,1,2,2-tetrachloroethane 2693.97
    2-methyl-cyclohexyl acetate 725.98
    tetrabutyl urea 654.98
    diisobutyl methanol 372.54
    2-phenylethanol 759.44
    styrene 587.23
    dioctyl adipate 686.76
    dimethyl sulfate 1075.38
    ethyl butyrate 900.94
    methyl lactate 677.23
    butyl lactate 724.36
    diethyl carbonate 560.06
    propanediol butyl ether 1007.51
    triethyl orthoformate 549.41
    p-tert-butyltoluene 320.15
    methyl 4-tert-butylbenzoate 769.47
    morpholine 2023.58
    tert-butylamine 763.2
    n-dodecanol 312.06
    dimethoxymethane 1248.8
    ethylene carbonate 1359.87
    cyrene 730.91
    2-ethoxyethyl acetate 1061.41
    2-ethylhexyl acetate 881.63
    1,2,4-trichlorobenzene 1347.98
    4-methylpyridine 1871.83
    dibutyl ether 827.18
    2,6-dimethyl-4-heptanol 372.54
    DEF 1888.86
    dimethyl isosorbide 1362.26
    tetrachloroethylene 1673.41
    eugenol 807.49
    triacetin 1128.02
    span 80 912.36
    1,4-butanediol 423.55
    1,1-dichloroethane 1932.79
    2-methyl-1-pentanol 646.66
    methyl formate 1331.09
    2-methyl-1-butanol 789.8
    n-decane 140.43
    butyronitrile 1274.7
    3,7-dimethyl-1-octanol 595.72
    1-chlorooctane 492.61
    1-chlorotetradecane 197.28
    n-nonane 150.74
    undecane 104.15
    tert-butylcyclohexane 185.38
    cyclooctane 148.88
    cyclopentanol 1332.74
    tetrahydropyran 2056.11
    tert-amyl methyl ether 784.83
    2,5,8-trioxanonane 1256.98
    1-hexene 748.41
    2-isopropoxyethanol 677.05
    2,2,2-trifluoroethanol 1059.51
    methyl butyrate 1229.13

    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