Valeric anhydride

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  • Identifiers

    CAS number
    2082-59-9

    Molecular formula
    C10H18O3

    SMILES
    CCCCC(=O)OC(=O)CCCC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 82.49%
    Winey 49.52%
    Fatty 47.62%
    Sour 47.48%
    Cheesy 47.31%
    Buttery 35.51%
    Apple 33.99%
    Fermented 33.22%
    Pineapple 31.56%
    Oily 31.39%

     

    Flavor
    Fruity 69.51%
    Cheese 52.47%
    Pineapple 44.06%
    Fatty 39.86%
    Green 35.87%
    Sweet 35.43%
    Tropical 35.15%
    Rancid 32.35%
    Sour 29.66%
    Sweat 29.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.66 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 98.53 ˚C est.

  • Synonyms

    • Valeric anhydride
    • 2082-59-9
    • Pentanoic anhydride
    • Pentanoic acid, anhydride
    • Pentanoic acid, 1,1'-anhydride
    • N9B5ZQ67R5
    • DTXSID70870934
    • EINECS 218-212-9
    • RefChem:901587
    • DTXCID70818614
    • 218-212-9
    • pentanoyl pentanoate
    • n-Valeric anhydride
    • VALERICANHYDRIDE
    • MFCD00009477
    • Pentanoic Acid 1,1'-Anhydride
    • n-pentanoic anhydride
    • Valeric anhydride; >95%
    • valeric acid anhydride
    • pentanoic acid anhydride
    • Valeric anhydride, 97%
    • UNII-N9B5ZQ67R5
    • SCHEMBL242588
    • orb2939885
    • DUCKXCGALKOSJF-UHFFFAOYSA-
    • AKOS015918324
    • HY-W099747
    • LS-13876
    • DB-045398
    • CS-0152389
    • NS00046020
    • V0006
    • Valeric anhydride, purum, >=98.0% (NT)
    • E70315
    • EN300-7400928
    • F176600
    • F0001-0745
    • InChI=1/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
    • 2082-59-9

  • Applications

    Valeric anhydride (CAS 2082-59-9) is primarily used as an acylating reagent in fragrance and flavor chemistry, enabling the formation of valerate esters that impart fruity or balsamic notes in perfumes and aroma compounds; it is commonly evaluated as an intermediate for synthesizing ester-based fragrance ingredients and flavor esters (for example, valerate derivatives such as isoamyl valerate). In cosmetics and personal care, it may be employed as a fragrance component or intermediate within regulated formulations. In industrial manufacturing, it serves as a reactive building block for esterification in organic synthesis, and can be used to introduce valeroyl groups in specialty polymers, coatings, and ink formulations to modify properties. Overall, its role is as a chemical intermediate and acylating reagent in fragrance, flavor, and materials synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 907.15
    methanol 1085.19
    isopropanol 815.25
    water 0.44
    ethyl acetate 724.9
    n-propanol 725.64
    acetone 1968.35
    n-butanol 713.73
    acetonitrile 747.42
    DMF 4488.98
    toluene 579.4
    isobutanol 595.35
    1,4-dioxane 1308.31
    methyl acetate 774.67
    THF 2712.9
    2-butanone 1144.63
    n-pentanol 484.16
    sec-butanol 728.31
    n-hexane 126.68
    ethylene glycol 167.98
    NMP 3416.42
    cyclohexane 218.8
    DMSO 2798.28
    n-butyl acetate 694.98
    n-octanol 212.35
    chloroform 2795.1
    n-propyl acetate 475.77
    acetic acid 1350.49
    dichloromethane 2292.59
    cyclohexanone 2127.92
    propylene glycol 309.37
    isopropyl acetate 542.24
    DMAc 2718.26
    2-ethoxyethanol 535.22
    isopentanol 660.45
    n-heptane 38.08
    ethyl formate 631.84
    1,2-dichloroethane 1834.62
    n-hexanol 476.34
    2-methoxyethanol 1143.12
    isobutyl acetate 317.59
    tetrachloromethane 254.99
    n-pentyl acetate 415.82
    transcutol 1457.43
    n-heptanol 186.57
    ethylbenzene 292.42
    MIBK 589.24
    2-propoxyethanol 708.07
    tert-butanol 936.63
    MTBE 728.57
    2-butoxyethanol 396.99
    propionic acid 789.06
    o-xylene 327.6
    formic acid 342.97
    diethyl ether 602.43
    m-xylene 321.91
    p-xylene 422.13
    chlorobenzene 1033.72
    dimethyl carbonate 342.78
    n-octane 21.0
    formamide 531.07
    cyclopentanone 2573.82
    2-pentanone 977.65
    anisole 544.07
    cyclopentyl methyl ether 983.03
    gamma-butyrolactone 2697.97
    1-methoxy-2-propanol 915.32
    pyridine 1776.02
    3-pentanone 688.91
    furfural 2001.06
    n-dodecane 18.44
    diethylene glycol 473.37
    diisopropyl ether 191.56
    tert-amyl alcohol 759.8
    acetylacetone 1251.4
    n-hexadecane 21.8
    acetophenone 614.28
    methyl propionate 698.65
    isopentyl acetate 636.46
    trichloroethylene 3339.23
    n-nonanol 186.02
    cyclohexanol 819.39
    benzyl alcohol 501.13
    2-ethylhexanol 276.8
    isooctanol 157.01
    dipropyl ether 260.18
    1,2-dichlorobenzene 930.69
    ethyl lactate 255.07
    propylene carbonate 1328.34
    n-methylformamide 1208.03
    2-pentanol 469.11
    n-pentane 87.94
    1-propoxy-2-propanol 507.42
    1-methoxy-2-propyl acetate 584.58
    2-(2-methoxypropoxy) propanol 437.62
    mesitylene 204.88
    ε-caprolactone 1558.04
    p-cymene 140.25
    epichlorohydrin 2262.8
    1,1,1-trichloroethane 1464.15
    2-aminoethanol 374.99
    morpholine-4-carbaldehyde 1931.7
    sulfolane 3176.29
    2,2,4-trimethylpentane 48.39
    2-methyltetrahydrofuran 1678.67
    n-hexyl acetate 576.29
    isooctane 34.38
    2-(2-butoxyethoxy)ethanol 577.76
    sec-butyl acetate 347.25
    tert-butyl acetate 646.05
    decalin 105.82
    glycerin 357.29
    diglyme 1023.84
    acrylic acid 788.51
    isopropyl myristate 198.88
    n-butyric acid 1135.6
    acetyl acetate 589.61
    di(2-ethylhexyl) phthalate 238.62
    ethyl propionate 460.92
    nitromethane 1923.58
    1,2-diethoxyethane 488.74
    benzonitrile 803.3
    trioctyl phosphate 157.66
    1-bromopropane 968.57
    gamma-valerolactone 2511.78
    n-decanol 130.95
    triethyl phosphate 209.52
    4-methyl-2-pentanol 273.26
    propionitrile 668.99
    vinylene carbonate 1133.14
    1,1,2-trichlorotrifluoroethane 1418.27
    DMS 501.16
    cumene 188.42
    2-octanol 150.44
    2-hexanone 626.95
    octyl acetate 265.02
    limonene 241.93
    1,2-dimethoxyethane 1257.44
    ethyl orthosilicate 189.95
    tributyl phosphate 224.52
    diacetone alcohol 756.43
    N,N-dimethylaniline 421.0
    acrylonitrile 931.35
    aniline 683.22
    1,3-propanediol 607.27
    bromobenzene 1100.39
    dibromomethane 1642.65
    1,1,2,2-tetrachloroethane 2889.63
    2-methyl-cyclohexyl acetate 360.08
    tetrabutyl urea 312.5
    diisobutyl methanol 157.38
    2-phenylethanol 442.64
    styrene 414.89
    dioctyl adipate 328.92
    dimethyl sulfate 665.87
    ethyl butyrate 391.18
    methyl lactate 405.65
    butyl lactate 381.66
    diethyl carbonate 287.44
    propanediol butyl ether 441.72
    triethyl orthoformate 267.86
    p-tert-butyltoluene 143.89
    methyl 4-tert-butylbenzoate 439.06
    morpholine 1803.04
    tert-butylamine 568.4
    n-dodecanol 97.58
    dimethoxymethane 1007.99
    ethylene carbonate 926.44
    cyrene 454.96
    2-ethoxyethyl acetate 475.58
    2-ethylhexyl acetate 482.36
    1,2,4-trichlorobenzene 1061.03
    4-methylpyridine 1835.09
    dibutyl ether 295.73
    2,6-dimethyl-4-heptanol 157.38
    DEF 1407.13
    dimethyl isosorbide 727.3
    tetrachloroethylene 1582.09
    eugenol 465.18
    triacetin 465.42
    span 80 453.68
    1,4-butanediol 238.28
    1,1-dichloroethane 1681.65
    2-methyl-1-pentanol 466.36
    methyl formate 828.2
    2-methyl-1-butanol 611.86
    n-decane 30.57
    butyronitrile 852.37
    3,7-dimethyl-1-octanol 243.98
    1-chlorooctane 164.81
    1-chlorotetradecane 66.57
    n-nonane 29.75
    undecane 22.76
    tert-butylcyclohexane 79.41
    cyclooctane 53.24
    cyclopentanol 1024.77
    tetrahydropyran 1555.67
    tert-amyl methyl ether 548.23
    2,5,8-trioxanonane 701.65
    1-hexene 438.27
    2-isopropoxyethanol 361.93
    2,2,2-trifluoroethanol 387.48
    methyl butyrate 758.74

    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