Ammonium Valerate

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  • Identifiers

    CAS number
    42739-38-8

    Molecular formula
    C5H13NO2

    SMILES
    CCCCC(=O)[O-].[NH4+]

  • Odor profile

    Fragrance
    Cheesy 70.59%
    Fruity 66.56%
    Sour 55.07%
    Fatty 46.02%
    Dairy 38.43%
    Sweaty 38.25%
    Buttery 36.65%
    Creamy 30.27%
    Pungent 30.13%
    Milky 29.49%

     

    Flavor
    Cheese 47.74%
    Sour 35.88%
    Sweat 35.33%
    Fruity 32.31%
    Rancid 30.06%
    Acidic 29.48%
    Cheesy 27.24%
    Sweet 27.14%
    Butter 25.61%
    Sweaty 24.97%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    4.95 (weak acid)

    Molecular weight
    119.16 g/mol

    Flash point

    • 33.2 ˚C est.

  • Synonyms

    • Ammonium valerate
    • Ammonium valerate (1:3)
    • Pentanoic acid, ammonium salt
    • Ammonium valerate [NF]
    • EINECS 227-767-6
    • Valeric acid, ammonium salt (3:1)
    • Ammonium dihydrogen trivalerate
    • UNII-0U3170A41K
    • EINECS 255-923-3
    • Valeric acid ammonium salt
    • AMMONIUM VALERIANATE
    • Pentanoic acid, ammonium salt (1:1)
    • Pentanoic acid, ammonium salt (3:1)
    • 0U3170A41K
    • AMMONIUM VALERIANICUM
    • AI3-08907
    • 42739-38-8
    • PENTANOIC ACID AMMONIUM SALT
    • 5972-85-0
    • Ammoniumvalerianat
    • SCHEMBL118648
    • AMMONIUM VALERATE [MI]
    • DTXSID00885874
    • AMMONIUM VALERIANICUM [HPUS]
    • DB-253793
    • NS00090408
    • 255-923-3

  • Applications

    Ammonium Valerate (CAS 42739-38-8) is used primarily as a salt form and chemical intermediate for valerate derivatives in industrial synthesis. It serves as a precursor to valeric acid esters and related compounds employed in fragrance and flavor applications, and can be used to introduce valerate groups in organic reactions. In cosmetic and personal care formulations, it can function as a buffering and pH-adjusting salt and as a source of valerate for esterification chemistry. In coatings and inks, it can act as an ionic component to aid formulation stability and material compatibility. Overall, it is considered for use as a valerate precursor in fragrance-related materials and in polymer and pharmaceutical intermediate synthesis, with usage subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 422.97
    methanol 626.91
    isopropanol 336.76
    water 11.06
    ethyl acetate 142.79
    n-propanol 274.62
    acetone 349.75
    n-butanol 251.63
    acetonitrile 165.12
    DMF 1003.1
    toluene 53.8
    isobutanol 194.78
    1,4-dioxane 279.94
    methyl acetate 179.82
    THF 464.21
    2-butanone 190.52
    n-pentanol 169.67
    sec-butanol 245.19
    n-hexane 28.24
    ethylene glycol 245.53
    NMP 506.36
    cyclohexane 25.42
    DMSO 646.38
    n-butyl acetate 145.95
    n-octanol 146.03
    chloroform 232.37
    n-propyl acetate 88.52
    acetic acid 411.75
    dichloromethane 192.98
    cyclohexanone 239.1
    propylene glycol 270.65
    isopropyl acetate 102.99
    DMAc 483.38
    2-ethoxyethanol 240.48
    isopentanol 210.12
    n-heptane 17.46
    ethyl formate 157.98
    1,2-dichloroethane 162.07
    n-hexanol 219.16
    2-methoxyethanol 556.47
    isobutyl acetate 58.26
    tetrachloromethane 36.31
    n-pentyl acetate 105.66
    transcutol 769.58
    n-heptanol 114.66
    ethylbenzene 49.4
    MIBK 115.3
    2-propoxyethanol 325.81
    tert-butanol 362.51
    MTBE 152.32
    2-butoxyethanol 196.08
    propionic acid 259.37
    o-xylene 57.6
    formic acid 250.16
    diethyl ether 117.55
    m-xylene 57.12
    p-xylene 56.36
    chlorobenzene 95.09
    dimethyl carbonate 79.52
    n-octane 10.86
    formamide 252.27
    cyclopentanone 316.08
    2-pentanone 168.11
    anisole 108.85
    cyclopentyl methyl ether 151.65
    gamma-butyrolactone 359.9
    1-methoxy-2-propanol 420.17
    pyridine 186.42
    3-pentanone 98.26
    furfural 369.45
    n-dodecane 12.53
    diethylene glycol 335.85
    diisopropyl ether 42.62
    tert-amyl alcohol 258.68
    acetylacetone 210.37
    n-hexadecane 13.63
    acetophenone 111.21
    methyl propionate 138.49
    isopentyl acetate 134.23
    trichloroethylene 263.01
    n-nonanol 123.59
    cyclohexanol 186.95
    benzyl alcohol 121.53
    2-ethylhexanol 119.04
    isooctanol 91.54
    dipropyl ether 77.66
    1,2-dichlorobenzene 106.2
    ethyl lactate 94.77
    propylene carbonate 199.59
    n-methylformamide 377.18
    2-pentanol 174.23
    n-pentane 23.71
    1-propoxy-2-propanol 251.11
    1-methoxy-2-propyl acetate 157.76
    2-(2-methoxypropoxy) propanol 250.1
    mesitylene 44.26
    ε-caprolactone 222.18
    p-cymene 44.4
    epichlorohydrin 307.61
    1,1,1-trichloroethane 128.73
    2-aminoethanol 333.13
    morpholine-4-carbaldehyde 446.15
    sulfolane 480.47
    2,2,4-trimethylpentane 15.95
    2-methyltetrahydrofuran 242.06
    n-hexyl acetate 172.64
    isooctane 13.49
    2-(2-butoxyethoxy)ethanol 330.7
    sec-butyl acetate 64.92
    tert-butyl acetate 128.65
    decalin 21.77
    glycerin 338.54
    diglyme 437.79
    acrylic acid 267.61
    isopropyl myristate 74.32
    n-butyric acid 273.23
    acetyl acetate 102.45
    di(2-ethylhexyl) phthalate 87.35
    ethyl propionate 88.39
    nitromethane 450.07
    1,2-diethoxyethane 164.05
    benzonitrile 133.93
    trioctyl phosphate 71.16
    1-bromopropane 99.92
    gamma-valerolactone 423.96
    n-decanol 95.65
    triethyl phosphate 59.78
    4-methyl-2-pentanol 112.94
    propionitrile 147.2
    vinylene carbonate 197.64
    1,1,2-trichlorotrifluoroethane 280.29
    DMS 130.28
    cumene 44.4
    2-octanol 93.23
    2-hexanone 107.01
    octyl acetate 103.02
    limonene 64.24
    1,2-dimethoxyethane 333.47
    ethyl orthosilicate 55.9
    tributyl phosphate 77.47
    diacetone alcohol 236.38
    N,N-dimethylaniline 96.35
    acrylonitrile 213.01
    aniline 103.79
    1,3-propanediol 365.73
    bromobenzene 83.37
    dibromomethane 140.43
    1,1,2,2-tetrachloroethane 244.46
    2-methyl-cyclohexyl acetate 87.65
    tetrabutyl urea 115.28
    diisobutyl methanol 76.08
    2-phenylethanol 141.49
    styrene 57.44
    dioctyl adipate 110.48
    dimethyl sulfate 146.35
    ethyl butyrate 93.03
    methyl lactate 158.81
    butyl lactate 132.93
    diethyl carbonate 68.39
    propanediol butyl ether 292.76
    triethyl orthoformate 72.21
    p-tert-butyltoluene 46.0
    methyl 4-tert-butylbenzoate 157.44
    morpholine 349.25
    tert-butylamine 207.18
    n-dodecanol 74.59
    dimethoxymethane 276.92
    ethylene carbonate 141.09
    cyrene 150.65
    2-ethoxyethyl acetate 140.0
    2-ethylhexyl acetate 93.96
    1,2,4-trichlorobenzene 120.16
    4-methylpyridine 186.15
    dibutyl ether 97.02
    2,6-dimethyl-4-heptanol 76.08
    DEF 238.92
    dimethyl isosorbide 277.72
    tetrachloroethylene 164.56
    eugenol 192.03
    triacetin 154.36
    span 80 243.31
    1,4-butanediol 152.61
    1,1-dichloroethane 150.09
    2-methyl-1-pentanol 151.51
    methyl formate 261.54
    2-methyl-1-butanol 183.01
    n-decane 17.65
    butyronitrile 153.47
    3,7-dimethyl-1-octanol 137.85
    1-chlorooctane 63.35
    1-chlorotetradecane 31.98
    n-nonane 16.6
    undecane 14.68
    tert-butylcyclohexane 22.24
    cyclooctane 10.19
    cyclopentanol 245.9
    tetrahydropyran 207.49
    tert-amyl methyl ether 121.69
    2,5,8-trioxanonane 369.38
    1-hexene 76.08
    2-isopropoxyethanol 150.29
    2,2,2-trifluoroethanol 127.55
    methyl butyrate 131.85

    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