Propionic anhydride

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  • Identifiers

    CAS number
    123-62-6

    Molecular formula
    C6H10O3

    SMILES
    CCC(=O)OC(=O)CC

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fruity 75.44%
    Winey 51.06%
    Ethereal 47.5%
    Sour 44.54%
    Green 42.21%
    Apple 40.76%
    Caramellic 36.39%
    Sharp 35.09%
    Pungent 33.57%
    Buttery 33.49%

     

    Flavor
    Fruity 74.34%
    Sweet 36.17%
    Green 36.06%
    Cheese 32.08%
    Fatty 31.84%
    Floral 31.62%
    Tropical 30.81%
    Apple 29.73%
    Sharp 29.65%
    Pineapple 29.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.92 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -45 °F (USCG, 1999)
    • -45 °C

    Boiling point

    • 336 °F at 760 mmHg (USCG, 1999)
    • 170 °C
    • 167 °C

    Flash point

    • 53.88 ˚C est.
    • 145 °F (USCG, 1999)
    • 165 °F (74 °C) (Open Cup)
    • 145 °F (63 °C) (Closed Cup)
    • 63 °C c.c.

    Solubility expt.

    • Decomposed by water; soluble in methanol, ethanol, ether and chloroform
    • Soluble in alkalies
    • Miscible with ether; slightly soluble in carbon tetraachloride
    • Solubility in water: reaction

  • Synonyms

    • PROPIONIC ANHYDRIDE
    • 123-62-6
    • Propanoic anhydride
    • propanoyl propanoate
    • Propanoic acid, anhydride
    • Propionic acid anhydride
    • Propionyl oxide
    • Methylacetic anhydride
    • Caswell No. 708
    • Anhydrid kyseliny propionove
    • HSDB 1215
    • Anhydrid kyseliny propionove [Czech]
    • EINECS 204-638-2
    • UN2496
    • EPA Pesticide Chemical Code 077704
    • BRN 0507066
    • E3A2VV18E6
    • DTXSID1027007
    • AI3-26975
    • Propanoic acid, 1,1'-anhydride
    • propanoic acid anhydride
    • DTXCID507007
    • PROPANOIC ACID,ANHYDRIDE
    • PROPIONIC ANHYDRIDE [MI]
    • EC 204-638-2
    • PROPIONIC ANHYDRIDE [HSDB]
    • 4-02-00-00722 (Beilstein Handbook Reference)
    • MFCD00009303
    • proprionic anhydride
    • UNII-E3A2VV18E6
    • (EtCO)2O
    • Propionic anhydride, 97%
    • SCHEMBL9276
    • Propionic anhydride, >=99%
    • C2H5C(O)OC(O)C2H5
    • CHEMBL3186472
    • VJB47131
    • Tox21_201029
    • STL356492
    • AKOS015918323
    • FP34614
    • UN 2496
    • USEPA/OPP Pesticide Code: 077704
    • NCGC00248900-01
    • NCGC00258582-01
    • CAS-123-62-6
    • LS-13154
    • DB-041737
    • NS00005368
    • P0513
    • Propionic anhydride [UN2496] [Corrosive]
    • Propionic anhydride, purum, >=96.0% (NT)
    • Q418066
    • F0001-0368
    • 204-638-2

  • Applications

    Propionic anhydride (CAS 123-62-6) is a reactive acylating agent used to introduce the propionyl group to amines, alcohols, and other nucleophiles, and it functions as an important intermediate in organic synthesis. Typical applications include the synthesis of pharmaceutical and agrochemical propionyl derivatives; preparation of propionate esters for flavors and fragrances; use as an intermediate in the manufacture of polymers, coatings, and adhesive formulations requiring propionyl functionality; and propionylation steps in cosmetics/personal care ingredient synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 505.83
    methanol 745.85
    isopropanol 467.91
    water 5.25
    ethyl acetate 902.15
    n-propanol 426.01
    acetone 1549.63
    n-butanol 384.42
    acetonitrile 1116.75
    DMF 2953.95
    toluene 497.24
    isobutanol 351.03
    1,4-dioxane 1287.17
    methyl acetate 1213.54
    THF 1272.75
    2-butanone 1144.1
    n-pentanol 334.53
    sec-butanol 509.26
    n-hexane 132.34
    ethylene glycol 148.21
    NMP 2449.34
    cyclohexane 184.1
    DMSO 1879.31
    n-butyl acetate 581.34
    n-octanol 312.96
    chloroform 2190.92
    n-propyl acetate 579.58
    acetic acid 860.54
    dichloromethane 2549.53
    cyclohexanone 1471.07
    propylene glycol 200.51
    isopropyl acetate 501.44
    DMAc 2678.11
    2-ethoxyethanol 527.37
    isopentanol 322.65
    n-heptane 71.65
    ethyl formate 825.32
    1,2-dichloroethane 1523.37
    n-hexanol 287.49
    2-methoxyethanol 883.34
    isobutyl acetate 309.02
    tetrachloromethane 326.23
    n-pentyl acetate 465.33
    transcutol 787.73
    n-heptanol 189.95
    ethylbenzene 410.67
    MIBK 383.5
    2-propoxyethanol 498.84
    tert-butanol 572.44
    MTBE 631.91
    2-butoxyethanol 322.84
    propionic acid 649.16
    o-xylene 447.88
    formic acid 302.49
    diethyl ether 559.19
    m-xylene 341.57
    p-xylene 618.65
    chlorobenzene 892.74
    dimethyl carbonate 526.91
    n-octane 57.3
    formamide 510.77
    cyclopentanone 1672.98
    2-pentanone 734.48
    anisole 687.59
    cyclopentyl methyl ether 595.14
    gamma-butyrolactone 2091.12
    1-methoxy-2-propanol 610.42
    pyridine 1399.46
    3-pentanone 783.08
    furfural 2083.67
    n-dodecane 61.08
    diethylene glycol 340.52
    diisopropyl ether 181.83
    tert-amyl alcohol 587.75
    acetylacetone 1045.09
    n-hexadecane 69.87
    acetophenone 808.93
    methyl propionate 865.18
    isopentyl acetate 452.92
    trichloroethylene 2760.23
    n-nonanol 263.78
    cyclohexanol 496.95
    benzyl alcohol 512.57
    2-ethylhexanol 235.11
    isooctanol 162.97
    dipropyl ether 296.92
    1,2-dichlorobenzene 944.34
    ethyl lactate 312.51
    propylene carbonate 1176.62
    n-methylformamide 1137.23
    2-pentanol 298.88
    n-pentane 96.55
    1-propoxy-2-propanol 358.45
    1-methoxy-2-propyl acetate 456.78
    2-(2-methoxypropoxy) propanol 398.08
    mesitylene 251.49
    ε-caprolactone 1249.94
    p-cymene 225.65
    epichlorohydrin 1817.57
    1,1,1-trichloroethane 1376.58
    2-aminoethanol 244.32
    morpholine-4-carbaldehyde 1874.11
    sulfolane 2232.95
    2,2,4-trimethylpentane 75.98
    2-methyltetrahydrofuran 987.06
    n-hexyl acetate 673.96
    isooctane 41.96
    2-(2-butoxyethoxy)ethanol 420.62
    sec-butyl acetate 361.13
    tert-butyl acetate 458.13
    decalin 134.22
    glycerin 268.15
    diglyme 933.36
    acrylic acid 674.01
    isopropyl myristate 259.26
    n-butyric acid 677.01
    acetyl acetate 678.14
    di(2-ethylhexyl) phthalate 269.3
    ethyl propionate 627.56
    nitromethane 2082.5
    1,2-diethoxyethane 484.77
    benzonitrile 917.26
    trioctyl phosphate 198.36
    1-bromopropane 806.22
    gamma-valerolactone 2023.92
    n-decanol 201.84
    triethyl phosphate 284.88
    4-methyl-2-pentanol 160.93
    propionitrile 770.85
    vinylene carbonate 1347.31
    1,1,2-trichlorotrifluoroethane 1132.8
    DMS 657.62
    cumene 290.32
    2-octanol 203.24
    2-hexanone 599.6
    octyl acetate 349.96
    limonene 285.69
    1,2-dimethoxyethane 1324.51
    ethyl orthosilicate 247.36
    tributyl phosphate 255.03
    diacetone alcohol 453.86
    N,N-dimethylaniline 575.19
    acrylonitrile 1146.0
    aniline 496.87
    1,3-propanediol 369.99
    bromobenzene 1026.5
    dibromomethane 1579.76
    1,1,2,2-tetrachloroethane 2150.85
    2-methyl-cyclohexyl acetate 359.79
    tetrabutyl urea 370.56
    diisobutyl methanol 145.46
    2-phenylethanol 381.4
    styrene 522.81
    dioctyl adipate 383.06
    dimethyl sulfate 940.49
    ethyl butyrate 498.37
    methyl lactate 412.27
    butyl lactate 334.86
    diethyl carbonate 413.1
    propanediol butyl ether 337.2
    triethyl orthoformate 312.05
    p-tert-butyltoluene 208.83
    methyl 4-tert-butylbenzoate 537.69
    morpholine 1218.86
    tert-butylamine 349.94
    n-dodecanol 162.79
    dimethoxymethane 1002.92
    ethylene carbonate 1018.5
    cyrene 441.5
    2-ethoxyethyl acetate 533.84
    2-ethylhexyl acetate 397.78
    1,2,4-trichlorobenzene 1057.56
    4-methylpyridine 1488.38
    dibutyl ether 378.46
    2,6-dimethyl-4-heptanol 145.46
    DEF 1234.98
    dimethyl isosorbide 607.7
    tetrachloroethylene 1257.42
    eugenol 490.82
    triacetin 600.81
    span 80 379.49
    1,4-butanediol 198.23
    1,1-dichloroethane 1436.25
    2-methyl-1-pentanol 321.19
    methyl formate 1078.31
    2-methyl-1-butanol 364.87
    n-decane 89.14
    butyronitrile 710.03
    3,7-dimethyl-1-octanol 276.28
    1-chlorooctane 305.8
    1-chlorotetradecane 139.26
    n-nonane 89.08
    undecane 71.54
    tert-butylcyclohexane 114.19
    cyclooctane 65.98
    cyclopentanol 616.3
    tetrahydropyran 944.89
    tert-amyl methyl ether 541.39
    2,5,8-trioxanonane 649.4
    1-hexene 364.96
    2-isopropoxyethanol 344.57
    2,2,2-trifluoroethanol 370.63
    methyl butyrate 884.72

    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