Butyric anhydride

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  • Identifiers

    CAS number
    106-31-0

    Molecular formula
    C8H14O3

    SMILES
    CCCC(=O)OC(=O)CCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.18%
    Winey 50.1%
    Apple 47.22%
    Sweet 44.97%
    Buttery 44.03%
    Green 43.43%
    Sour 41.28%
    Fatty 40.79%
    Ethereal 40.1%
    Pineapple 39.57%

     

    Flavor
    Fruity 87.27%
    Pineapple 55.86%
    Sweet 53.26%
    Green 47.7%
    Apple 45.4%
    Cheese 43.78%
    Fatty 42.16%
    Fruit 41.49%
    Tropical 38.61%
    Berry 38.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.16 (weak base)

    Molecular weight
    158.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -75 °C

    Boiling point

    • 200 °C

    Flash point

    • 75.29 ˚C est.
    • 180 °F (NFPA, 2010)
    • 180 °F (54 °C) (closed cup)

    Solubility expt.

    • Soluble in water and alcohol with decomposition; soluble in ether

  • Synonyms

    • BUTYRIC ANHYDRIDE
    • 106-31-0
    • Butanoic anhydride
    • n-Butyric anhydride
    • Butanoic acid, anhydride
    • butanoyl butanoate
    • Butyric acid anhydride
    • Butyryl oxide
    • n-Butyric acid anhydride
    • Butyranhydrid
    • Butyric anhydride N
    • Butyranhydrid [Czech]
    • Caswell No. 132A
    • Anhydrid kyseliny maselne
    • n-Butanoic anhydride
    • Butanoic acid, 1,1'-anhydride
    • HSDB 5369
    • Anhydrid kyseliny maselne [Czech]
    • EINECS 203-383-4
    • UNII-A88LE742VX
    • MFCD00009389
    • UN2739
    • EPA Pesticide Chemical Code 077705
    • BRN 1099474
    • A88LE742VX
    • DTXSID8026729
    • BUTYRIC ANHYDRIDE [MI]
    • DTXCID206729
    • BUTYRIC ANHYDRIDE [HSDB]
    • EC 203-383-4
    • 4-02-00-00802 (Beilstein Handbook Reference)
    • UN 2739
    • Butyric anhydride, 98%
    • Butanoic acid anhydride
    • Ethyl butyryl acetate
    • nButyric anhydride
    • nButyric acid anhydride
    • BUTANOYL ANHYDRIDE
    • Butyric anhydride, 99%
    • SCHEMBL8158
    • butanoic acid 1-oxobutyl ester
    • CHEMBL1566369
    • Tox21_201086
    • STL194304
    • AKOS000269029
    • NCGC00091001-01
    • NCGC00091001-02
    • NCGC00091001-03
    • NCGC00258638-01
    • CAS-106-31-0
    • LS-13480
    • Butyric anhydride [UN2739] [Corrosive]
    • B0766
    • Butyric anhydride, purum, >=97.0% (NT)
    • NS00006505
    • A801416
    • Q5003196
    • F0001-0116
    • 203-383-4

  • Applications

    Butyric anhydride (CAS 106-31-0) is a powerful acylating agent widely employed in organic synthesis to produce butyrate esters and amides for the flavour and fragrance industry, where it imparts buttery, fruity and caramel notes, in manufacturing modified plastics such as cellulose acetate butyrate, in preparing pharmaceutical and agrochemical intermediates, surfactants, paper surface treatments and lubricant additives, and in laboratory protocols for hydroxyl protection, polymer compatibility enhancement and biochemical studies on protein or carbohydrate butyrylation; because of its pungent odour and corrosive nature, the chemical is normally stored in sealed containers, transported as a regulated hazardous substance and handled under fume-hood with suitable personal and corrosion-resistant protective equipment.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1301.25
    methanol 1415.82
    isopropanol 1286.06
    water 3.52
    ethyl acetate 1192.45
    n-propanol 1058.7
    acetone 2608.05
    n-butanol 1002.13
    acetonitrile 1289.31
    DMF 4482.22
    toluene 647.43
    isobutanol 841.47
    1,4-dioxane 1876.15
    methyl acetate 1213.62
    THF 3626.75
    2-butanone 1490.83
    n-pentanol 642.79
    sec-butanol 1071.15
    n-hexane 231.06
    ethylene glycol 278.67
    NMP 4623.24
    cyclohexane 473.31
    DMSO 2947.14
    n-butyl acetate 815.41
    n-octanol 407.94
    chloroform 3877.84
    n-propyl acetate 661.74
    acetic acid 3567.78
    dichloromethane 3228.62
    cyclohexanone 3023.71
    propylene glycol 489.73
    isopropyl acetate 773.53
    DMAc 2839.51
    2-ethoxyethanol 592.56
    isopentanol 764.23
    n-heptane 94.32
    ethyl formate 970.3
    1,2-dichloroethane 2032.25
    n-hexanol 640.63
    2-methoxyethanol 1390.01
    isobutyl acetate 401.19
    tetrachloromethane 352.11
    n-pentyl acetate 611.4
    transcutol 1432.87
    n-heptanol 273.71
    ethylbenzene 380.39
    MIBK 641.77
    2-propoxyethanol 885.22
    tert-butanol 1327.39
    MTBE 777.24
    2-butoxyethanol 446.72
    propionic acid 1535.98
    o-xylene 399.06
    formic acid 683.39
    diethyl ether 839.22
    m-xylene 385.42
    p-xylene 527.1
    chlorobenzene 1283.76
    dimethyl carbonate 546.5
    n-octane 54.49
    formamide 858.56
    cyclopentanone 3653.68
    2-pentanone 1279.72
    anisole 656.25
    cyclopentyl methyl ether 1433.13
    gamma-butyrolactone 4148.35
    1-methoxy-2-propanol 1167.73
    pyridine 2335.23
    3-pentanone 943.94
    furfural 2840.47
    n-dodecane 50.93
    diethylene glycol 558.45
    diisopropyl ether 263.72
    tert-amyl alcohol 998.52
    acetylacetone 1568.43
    n-hexadecane 58.75
    acetophenone 782.95
    methyl propionate 1123.42
    isopentyl acetate 656.5
    trichloroethylene 4305.48
    n-nonanol 342.18
    cyclohexanol 1394.02
    benzyl alcohol 596.49
    2-ethylhexanol 361.22
    isooctanol 221.98
    dipropyl ether 420.86
    1,2-dichlorobenzene 1149.91
    ethyl lactate 376.01
    propylene carbonate 2263.14
    n-methylformamide 1656.74
    2-pentanol 722.39
    n-pentane 185.59
    1-propoxy-2-propanol 652.22
    1-methoxy-2-propyl acetate 683.5
    2-(2-methoxypropoxy) propanol 504.73
    mesitylene 268.04
    ε-caprolactone 2342.54
    p-cymene 203.91
    epichlorohydrin 2831.84
    1,1,1-trichloroethane 1735.46
    2-aminoethanol 529.4
    morpholine-4-carbaldehyde 2493.79
    sulfolane 4756.96
    2,2,4-trimethylpentane 79.41
    2-methyltetrahydrofuran 2281.84
    n-hexyl acetate 1031.57
    isooctane 56.68
    2-(2-butoxyethoxy)ethanol 674.6
    sec-butyl acetate 437.18
    tert-butyl acetate 743.18
    decalin 167.8
    glycerin 560.15
    diglyme 1052.56
    acrylic acid 1529.49
    isopropyl myristate 332.63
    n-butyric acid 1888.38
    acetyl acetate 968.76
    di(2-ethylhexyl) phthalate 350.83
    ethyl propionate 676.66
    nitromethane 3543.34
    1,2-diethoxyethane 548.6
    benzonitrile 1071.31
    trioctyl phosphate 265.99
    1-bromopropane 1139.42
    gamma-valerolactone 3468.51
    n-decanol 249.04
    triethyl phosphate 287.77
    4-methyl-2-pentanol 340.59
    propionitrile 1008.99
    vinylene carbonate 2092.69
    1,1,2-trichlorotrifluoroethane 1867.6
    DMS 720.0
    cumene 240.07
    2-octanol 266.73
    2-hexanone 756.58
    octyl acetate 461.04
    limonene 358.7
    1,2-dimethoxyethane 1267.33
    ethyl orthosilicate 253.35
    tributyl phosphate 337.1
    diacetone alcohol 877.74
    N,N-dimethylaniline 501.87
    acrylonitrile 1391.01
    aniline 789.92
    1,3-propanediol 865.68
    bromobenzene 1362.11
    dibromomethane 2272.32
    1,1,2,2-tetrachloroethane 3289.61
    2-methyl-cyclohexyl acetate 502.84
    tetrabutyl urea 456.03
    diisobutyl methanol 210.76
    2-phenylethanol 538.2
    styrene 515.98
    dioctyl adipate 499.92
    dimethyl sulfate 943.12
    ethyl butyrate 549.99
    methyl lactate 613.0
    butyl lactate 504.15
    diethyl carbonate 414.49
    propanediol butyl ether 609.65
    triethyl orthoformate 371.33
    p-tert-butyltoluene 197.01
    methyl 4-tert-butylbenzoate 614.0
    morpholine 2331.33
    tert-butylamine 762.32
    n-dodecanol 189.91
    dimethoxymethane 1340.05
    ethylene carbonate 1666.6
    cyrene 638.33
    2-ethoxyethyl acetate 585.36
    2-ethylhexyl acetate 512.9
    1,2,4-trichlorobenzene 1300.08
    4-methylpyridine 2178.59
    dibutyl ether 491.43
    2,6-dimethyl-4-heptanol 210.76
    DEF 1713.98
    dimethyl isosorbide 942.92
    tetrachloroethylene 1771.47
    eugenol 602.71
    triacetin 771.62
    span 80 628.16
    1,4-butanediol 327.49
    1,1-dichloroethane 2138.61
    2-methyl-1-pentanol 541.93
    methyl formate 1251.83
    2-methyl-1-butanol 736.76
    n-decane 84.15
    butyronitrile 1253.78
    3,7-dimethyl-1-octanol 365.44
    1-chlorooctane 328.65
    1-chlorotetradecane 129.85
    n-nonane 84.81
    undecane 62.89
    tert-butylcyclohexane 126.75
    cyclooctane 113.95
    cyclopentanol 1778.98
    tetrahydropyran 2288.64
    tert-amyl methyl ether 607.08
    2,5,8-trioxanonane 763.29
    1-hexene 610.25
    2-isopropoxyethanol 412.65
    2,2,2-trifluoroethanol 808.7
    methyl butyrate 1026.35

    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