2-(2-Oxooxolan-3-yl)acetaldehyde

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  • Identifiers

    CAS number
    195062-71-6

    Molecular formula
    C6H8O3

    SMILES
    C1COC(=O)C1CC=O

  • Odor profile

    Fragrance
    Caramellic 65.85%
    Burnt 46.11%
    Nutty 45.28%
    Buttery 38.25%
    Roasted 34.53%
    Sweet 28.21%
    Coconut 23.27%
    Odorless 22.95%
    Spicy 22.26%
    Coffee 22.07%

     

    Flavor
    Sweet 47.6%
    Caramel 44.43%
    Buttery 33.94%
    Fatty 32.41%
    Oily 27.71%
    Creamy 26.86%
    Maple 23.08%
    Fenugreek 22.09%
    Almond 21.38%
    Bread 21.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    6.3 (neutral)

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    282°C

    Flash point

    • 112.55 ˚C est.

  • Synonyms

    • 2-(2-oxooxolan-3-yl)acetaldehyde
    • 195062-71-6
    • SCHEMBL8762116
    • (2-oxooxolan-3-yl)-acetaldehyde
    • EN300-7622102
    • Z1511761046

  • Applications

    2-(2-Oxooxolan-3-yl)acetaldehyde (CAS 195062-71-6) is primarily used as a synthetic building block in organic chemistry. In industrial manufacturing it is commonly evaluated for use as an intermediate to prepare heterocyclic compounds and functionalized aldehyde derivatives. It may serve as a precursor in pharmaceutical and agrochemical research, enabling the construction of more complex molecules. The aldehyde-bearing structure also makes it suitable as a reactive intermediate in polymer and coating formulations, where it can participate in crosslinking or further functionalization. In fragrance and flavor development, it is occasionally explored as a fragrance intermediate due to its lactone-like fragment, though its use is formulation- and regulation-dependent. Overall, its applications are focused on synthesis and as a versatile intermediate across multiple sectors, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.08
    methanol 590.22
    isopropanol 115.24
    water 70.62
    ethyl acetate 108.11
    n-propanol 108.88
    acetone 178.96
    n-butanol 83.88
    acetonitrile 310.72
    DMF 504.97
    toluene 35.81
    isobutanol 78.66
    1,4-dioxane 219.5
    methyl acetate 183.92
    THF 162.31
    2-butanone 107.97
    n-pentanol 75.61
    sec-butanol 72.86
    n-hexane 1.12
    ethylene glycol 127.61
    NMP 287.67
    cyclohexane 1.7
    DMSO 501.0
    n-butyl acetate 54.05
    n-octanol 34.35
    chloroform 277.45
    n-propyl acetate 71.47
    acetic acid 472.77
    dichloromethane 352.85
    cyclohexanone 107.56
    propylene glycol 66.72
    isopropyl acetate 57.47
    DMAc 412.11
    2-ethoxyethanol 259.66
    isopentanol 91.29
    n-heptane 1.32
    ethyl formate 146.91
    1,2-dichloroethane 171.45
    n-hexanol 43.73
    2-methoxyethanol 402.65
    isobutyl acetate 43.56
    tetrachloromethane 26.98
    n-pentyl acetate 38.36
    transcutol 639.57
    n-heptanol 26.98
    ethylbenzene 22.93
    MIBK 59.9
    2-propoxyethanol 135.76
    tert-butanol 138.78
    MTBE 60.08
    2-butoxyethanol 89.58
    propionic acid 167.83
    o-xylene 33.5
    formic acid 578.6
    diethyl ether 44.5
    m-xylene 28.77
    p-xylene 36.23
    chlorobenzene 84.94
    dimethyl carbonate 73.08
    n-octane 1.04
    formamide 797.65
    cyclopentanone 145.88
    2-pentanone 73.5
    anisole 109.7
    cyclopentyl methyl ether 52.84
    gamma-butyrolactone 272.9
    1-methoxy-2-propanol 192.54
    pyridine 221.78
    3-pentanone 46.9
    furfural 388.98
    n-dodecane 1.8
    diethylene glycol 195.85
    diisopropyl ether 13.1
    tert-amyl alcohol 98.05
    acetylacetone 132.44
    n-hexadecane 2.0
    acetophenone 119.19
    methyl propionate 95.62
    isopentyl acetate 53.13
    trichloroethylene 368.16
    n-nonanol 30.36
    cyclohexanol 48.78
    benzyl alcohol 112.46
    2-ethylhexanol 27.4
    isooctanol 25.61
    dipropyl ether 19.01
    1,2-dichlorobenzene 90.87
    ethyl lactate 57.27
    propylene carbonate 139.26
    n-methylformamide 418.21
    2-pentanol 45.69
    n-pentane 1.25
    1-propoxy-2-propanol 72.47
    1-methoxy-2-propyl acetate 73.64
    2-(2-methoxypropoxy) propanol 117.46
    mesitylene 17.5
    ε-caprolactone 124.48
    p-cymene 16.39
    epichlorohydrin 295.83
    1,1,1-trichloroethane 99.96
    2-aminoethanol 166.72
    morpholine-4-carbaldehyde 373.53
    sulfolane 250.76
    2,2,4-trimethylpentane 1.98
    2-methyltetrahydrofuran 91.7
    n-hexyl acetate 59.46
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 158.35
    sec-butyl acetate 46.12
    tert-butyl acetate 63.77
    decalin 2.93
    glycerin 146.4
    diglyme 310.55
    acrylic acid 209.16
    isopropyl myristate 24.74
    n-butyric acid 162.24
    acetyl acetate 96.49
    di(2-ethylhexyl) phthalate 36.52
    ethyl propionate 58.48
    nitromethane 815.31
    1,2-diethoxyethane 94.01
    benzonitrile 148.17
    trioctyl phosphate 22.21
    1-bromopropane 44.21
    gamma-valerolactone 279.1
    n-decanol 22.62
    triethyl phosphate 33.35
    4-methyl-2-pentanol 37.26
    propionitrile 133.86
    vinylene carbonate 181.49
    1,1,2-trichlorotrifluoroethane 255.93
    DMS 77.47
    cumene 19.69
    2-octanol 20.05
    2-hexanone 61.27
    octyl acetate 32.49
    limonene 17.86
    1,2-dimethoxyethane 278.24
    ethyl orthosilicate 29.86
    tributyl phosphate 30.03
    diacetone alcohol 109.49
    N,N-dimethylaniline 74.76
    acrylonitrile 269.55
    aniline 92.39
    1,3-propanediol 195.08
    bromobenzene 74.29
    dibromomethane 147.32
    1,1,2,2-tetrachloroethane 217.58
    2-methyl-cyclohexyl acetate 45.12
    tetrabutyl urea 42.37
    diisobutyl methanol 19.44
    2-phenylethanol 71.16
    styrene 36.01
    dioctyl adipate 44.37
    dimethyl sulfate 147.86
    ethyl butyrate 48.94
    methyl lactate 81.33
    butyl lactate 45.62
    diethyl carbonate 45.17
    propanediol butyl ether 98.44
    triethyl orthoformate 37.31
    p-tert-butyltoluene 14.89
    methyl 4-tert-butylbenzoate 80.12
    morpholine 225.55
    tert-butylamine 60.56
    n-dodecanol 17.16
    dimethoxymethane 175.19
    ethylene carbonate 117.27
    cyrene 114.7
    2-ethoxyethyl acetate 79.48
    2-ethylhexyl acetate 37.7
    1,2,4-trichlorobenzene 110.24
    4-methylpyridine 192.36
    dibutyl ether 27.66
    2,6-dimethyl-4-heptanol 19.44
    DEF 141.72
    dimethyl isosorbide 152.76
    tetrachloroethylene 156.6
    eugenol 95.98
    triacetin 89.77
    span 80 74.72
    1,4-butanediol 102.65
    1,1-dichloroethane 126.46
    2-methyl-1-pentanol 74.32
    methyl formate 280.6
    2-methyl-1-butanol 72.94
    n-decane 2.45
    butyronitrile 111.19
    3,7-dimethyl-1-octanol 37.44
    1-chlorooctane 14.22
    1-chlorotetradecane 6.66
    n-nonane 1.91
    undecane 2.06
    tert-butylcyclohexane 3.0
    cyclooctane 0.89
    cyclopentanol 63.58
    tetrahydropyran 68.23
    tert-amyl methyl ether 43.31
    2,5,8-trioxanonane 217.76
    1-hexene 8.11
    2-isopropoxyethanol 146.35
    2,2,2-trifluoroethanol 234.96
    methyl butyrate 93.77

    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