2-Oxopentanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7332-93-6

    Molecular formula
    C5H8O2

    SMILES
    CCCC(=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 75.93%
    Sweet 72.48%
    Buttery 64.56%
    Fatty 58.17%
    Fruity 49.36%
    Pungent 49.32%
    Creamy 49.14%
    Cheesy 45.78%
    Nutty 43.54%
    Oily 40.95%

     

    Flavor
    Sweet 64.88%
    Caramel 60.34%
    Butter 48.48%
    Creamy 45.14%
    Buttery 43.34%
    Pungent 38.44%
    Cheese 37.22%
    Fatty 35.9%
    Brown 33.22%
    Oily 32.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.5 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    152°C

    Flash point

    • 34.19 ˚C est.

  • Synonyms

    • 2-Oxopentanal
    • 7332-93-6
    • RefChem:1064057
    • Propylglyoxal
    • Valeraldehyde, 2-oxo-
    • 2-oxo-pentanal
    • 2-Ketopentanal
    • alpha-Ketopentanal
    • Pentanal, 2-oxo-
    • BRN 1743398
    • pentoneal
    • .alpha.-Ketopentanal
    • starbld0008037
    • SCHEMBL22450
    • 4-01-00-03658 (Beilstein Handbook Reference)
    • SCHEMBL1564465
    • SCHEMBL27549847
    • SCHEMBL27603106
    • DTXSID00223550
    • DA-21085
    • 7332-93-6

  • Applications

    2-Oxopentanal (CAS 7332-93-6) is an α-oxo aldehyde used primarily as an intermediate in chemical synthesis; in fragrance and flavor applications it serves as a building block for aroma compounds and can appear as a component or precursor in fragrance formulations or personal care products; in organic synthesis it is commonly used as an intermediate to forge carbonyl-containing species and heterocyclic frameworks for specialty chemicals; in the polymer and coatings sector it can act as a precursor for polymers and resins. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.22
    methanol 625.44
    isopropanol 154.99
    water 8.68
    ethyl acetate 237.54
    n-propanol 180.01
    acetone 428.24
    n-butanol 174.86
    acetonitrile 345.69
    DMF 733.6
    toluene 49.54
    isobutanol 119.59
    1,4-dioxane 332.57
    methyl acetate 289.75
    THF 374.33
    2-butanone 240.39
    n-pentanol 120.06
    sec-butanol 125.34
    n-hexane 18.78
    ethylene glycol 199.06
    NMP 665.98
    cyclohexane 27.67
    DMSO 732.63
    n-butyl acetate 243.12
    n-octanol 97.53
    chloroform 401.13
    n-propyl acetate 148.84
    acetic acid 883.76
    dichloromethane 445.8
    cyclohexanone 366.69
    propylene glycol 129.21
    isopropyl acetate 118.34
    DMAc 383.41
    2-ethoxyethanol 220.24
    isopentanol 133.5
    n-heptane 16.38
    ethyl formate 239.72
    1,2-dichloroethane 307.63
    n-hexanol 173.37
    2-methoxyethanol 468.85
    isobutyl acetate 85.56
    tetrachloromethane 57.95
    n-pentyl acetate 125.54
    transcutol 1055.79
    n-heptanol 78.25
    ethylbenzene 47.95
    MIBK 104.44
    2-propoxyethanol 297.02
    tert-butanol 188.16
    MTBE 113.03
    2-butoxyethanol 160.38
    propionic acid 341.95
    o-xylene 56.64
    formic acid 474.89
    diethyl ether 122.14
    m-xylene 50.2
    p-xylene 62.43
    chlorobenzene 167.65
    dimethyl carbonate 93.38
    n-octane 8.86
    formamide 450.73
    cyclopentanone 420.53
    2-pentanone 188.1
    anisole 117.34
    cyclopentyl methyl ether 150.1
    gamma-butyrolactone 598.44
    1-methoxy-2-propanol 266.21
    pyridine 264.86
    3-pentanone 131.68
    furfural 578.54
    n-dodecane 9.6
    diethylene glycol 351.07
    diisopropyl ether 36.31
    tert-amyl alcohol 153.8
    acetylacetone 273.66
    n-hexadecane 10.82
    acetophenone 149.58
    methyl propionate 183.16
    isopentyl acetate 196.36
    trichloroethylene 635.12
    n-nonanol 82.38
    cyclohexanol 156.65
    benzyl alcohol 120.91
    2-ethylhexanol 108.81
    isooctanol 64.64
    dipropyl ether 87.54
    1,2-dichlorobenzene 183.5
    ethyl lactate 104.42
    propylene carbonate 319.45
    n-methylformamide 448.94
    2-pentanol 104.73
    n-pentane 15.1
    1-propoxy-2-propanol 219.11
    1-methoxy-2-propyl acetate 196.43
    2-(2-methoxypropoxy) propanol 221.97
    mesitylene 41.63
    ε-caprolactone 359.99
    p-cymene 50.81
    epichlorohydrin 445.76
    1,1,1-trichloroethane 228.45
    2-aminoethanol 224.34
    morpholine-4-carbaldehyde 533.6
    sulfolane 678.79
    2,2,4-trimethylpentane 11.71
    2-methyltetrahydrofuran 241.14
    n-hexyl acetate 207.35
    isooctane 9.74
    2-(2-butoxyethoxy)ethanol 299.16
    sec-butyl acetate 86.88
    tert-butyl acetate 139.85
    decalin 20.26
    glycerin 217.07
    diglyme 498.74
    acrylic acid 412.87
    isopropyl myristate 75.68
    n-butyric acid 356.08
    acetyl acetate 185.41
    di(2-ethylhexyl) phthalate 86.19
    ethyl propionate 124.95
    nitromethane 1015.12
    1,2-diethoxyethane 237.41
    benzonitrile 211.91
    trioctyl phosphate 66.51
    1-bromopropane 135.66
    gamma-valerolactone 546.48
    n-decanol 63.55
    triethyl phosphate 77.1
    4-methyl-2-pentanol 65.94
    propionitrile 201.72
    vinylene carbonate 326.39
    1,1,2-trichlorotrifluoroethane 411.36
    DMS 189.9
    cumene 40.63
    2-octanol 57.78
    2-hexanone 134.53
    octyl acetate 105.0
    limonene 78.55
    1,2-dimethoxyethane 339.14
    ethyl orthosilicate 68.4
    tributyl phosphate 88.02
    diacetone alcohol 199.93
    N,N-dimethylaniline 89.32
    acrylonitrile 329.33
    aniline 108.22
    1,3-propanediol 264.01
    bromobenzene 148.04
    dibromomethane 274.17
    1,1,2,2-tetrachloroethane 427.97
    2-methyl-cyclohexyl acetate 119.47
    tetrabutyl urea 120.32
    diisobutyl methanol 69.73
    2-phenylethanol 141.2
    styrene 65.37
    dioctyl adipate 124.35
    dimethyl sulfate 190.24
    ethyl butyrate 149.02
    methyl lactate 152.65
    butyl lactate 130.82
    diethyl carbonate 110.81
    propanediol butyl ether 208.63
    triethyl orthoformate 96.86
    p-tert-butyltoluene 47.81
    methyl 4-tert-butylbenzoate 150.21
    morpholine 346.44
    tert-butylamine 108.72
    n-dodecanol 50.17
    dimethoxymethane 228.64
    ethylene carbonate 229.0
    cyrene 164.97
    2-ethoxyethyl acetate 188.53
    2-ethylhexyl acetate 138.69
    1,2,4-trichlorobenzene 204.48
    4-methylpyridine 228.59
    dibutyl ether 103.34
    2,6-dimethyl-4-heptanol 69.73
    DEF 282.31
    dimethyl isosorbide 317.17
    tetrachloroethylene 311.99
    eugenol 176.6
    triacetin 205.55
    span 80 189.46
    1,4-butanediol 119.55
    1,1-dichloroethane 235.4
    2-methyl-1-pentanol 113.7
    methyl formate 371.27
    2-methyl-1-butanol 119.91
    n-decane 13.96
    butyronitrile 186.02
    3,7-dimethyl-1-octanol 103.87
    1-chlorooctane 61.78
    1-chlorotetradecane 27.83
    n-nonane 13.72
    undecane 11.25
    tert-butylcyclohexane 19.03
    cyclooctane 10.2
    cyclopentanol 178.08
    tetrahydropyran 238.83
    tert-amyl methyl ether 93.05
    2,5,8-trioxanonane 360.69
    1-hexene 62.46
    2-isopropoxyethanol 139.18
    2,2,2-trifluoroethanol 267.35
    methyl butyrate 189.69

    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