Propiolaldehyde

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  • Identifiers

    CAS number
    624-67-9

    Molecular formula
    C3H2O

    SMILES
    C#CC=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Pungent 52.04%
    Almond 38.33%
    Sharp 36.09%
    Spicy 35.62%
    Floral 34.87%
    Bitter 30.41%
    Cherry 29.05%
    Fruity 25.78%
    Nutty 25.58%
    Alliaceous 23.44%

     

    Flavor
    Bitter 49.26%
    Odorless 38.06%
    Mustard 28.97%
    Sulfur 27.85%
    Formyl 22.7%
    Pungent 22.0%
    Nitrile 20.97%
    Mousy 20.49%
    Furfural 19.77%
    Rotten 19.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    5.87 (weak acid)

    Molecular weight
    54.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    65°C

    Flash point

    • -17.31 ˚C est.

  • Synonyms

    • 2-Propynal
    • PROPYNAL
    • 624-67-9
    • Propiolaldehyde
    • prop-2-ynal
    • Propargylaldehyde
    • Propioaldehyde
    • 2-Propyn-1-al
    • Propyn-3-al
    • Formylacetylene
    • Propiolaldehye
    • 2-Propyn-1-one
    • Acetylenecarboxaldehyde
    • propiolic aldehyde
    • EINECS 210-857-4
    • SJ8A65XF7N
    • BRN 1098318
    • CHEBI:27976
    • DTXSID3060790
    • 4-01-00-03537 (Beilstein Handbook Reference)
    • Prorynal
    • 2-Propynal (>85%, stabilized with Hydroquinone)
    • UNII-SJ8A65XF7N
    • HC.equiv.CCHO
    • 2-propine-1-al
    • MFCD00040470
    • CHEMBL722
    • DTXCID1043338
    • IJNJLGFTSIAHEA-UHFFFAOYSA-
    • BCP06452
    • AKOS006280816
    • Propynal, stabilised with Hydroquinone
    • FP13241
    • DB-008675
    • InChI=1/C3H2O/c1-2-3-4/h1,3H
    • NS00035036
    • EN300-76056
    • C05985
    • A833789
    • Q21099676
    • 210-857-4

  • Applications

    Propiolaldehyde (CAS 624-67-9) is a reactive organic intermediate used to introduce a propargyl (alkynyl) group into molecules, enabling the preparation of alkynyl derivatives for click chemistry, heterocycle synthesis, and drug-development building blocks. It serves as a precursor for propargyl alcohols and other alkynyl-functional compounds, which are considered for applications in pharmaceutical research and development as well as specialty materials. In polymer and plastics chemistry, it can function as a functional monomer or precursor to propargyl-functional polymers and coatings, providing sites for crosslinking and surface functionality. In coatings, inks, and adhesives, the propargyl group enables covalent bonding or post-polymerization crosslinking to improve adhesion and durability. It is also used in the research and development of functional materials based on alkyne chemistry, including surface functionalization and ligand synthesis. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 224.92
    methanol 448.37
    isopropanol 110.53
    water 159.97
    ethyl acetate 90.08
    n-propanol 127.55
    acetone 191.32
    n-butanol 105.02
    acetonitrile 210.61
    DMF 350.41
    toluene 16.56
    isobutanol 76.98
    1,4-dioxane 124.2
    methyl acetate 161.34
    THF 110.78
    2-butanone 120.86
    n-pentanol 81.02
    sec-butanol 87.9
    n-hexane 5.71
    ethylene glycol 180.35
    NMP 208.17
    cyclohexane 6.93
    DMSO 258.79
    n-butyl acetate 77.0
    n-octanol 49.89
    chloroform 90.16
    n-propyl acetate 90.22
    acetic acid 437.97
    dichloromethane 114.5
    cyclohexanone 85.45
    propylene glycol 104.32
    isopropyl acetate 45.25
    DMAc 264.85
    2-ethoxyethanol 203.43
    isopentanol 79.96
    n-heptane 10.39
    ethyl formate 107.14
    1,2-dichloroethane 68.76
    n-hexanol 62.84
    2-methoxyethanol 288.26
    isobutyl acetate 49.83
    tetrachloromethane 20.55
    n-pentyl acetate 49.04
    transcutol 484.34
    n-heptanol 39.65
    ethylbenzene 14.82
    MIBK 48.54
    2-propoxyethanol 138.95
    tert-butanol 107.36
    MTBE 61.53
    2-butoxyethanol 103.01
    propionic acid 181.87
    o-xylene 19.55
    formic acid 446.99
    diethyl ether 69.99
    m-xylene 14.96
    p-xylene 21.02
    chlorobenzene 26.92
    dimethyl carbonate 54.44
    n-octane 4.53
    formamide 528.53
    cyclopentanone 105.78
    2-pentanone 78.79
    anisole 57.66
    cyclopentyl methyl ether 51.06
    gamma-butyrolactone 134.94
    1-methoxy-2-propanol 158.11
    pyridine 107.27
    3-pentanone 60.97
    furfural 177.39
    n-dodecane 4.25
    diethylene glycol 172.8
    diisopropyl ether 20.16
    tert-amyl alcohol 96.08
    acetylacetone 92.95
    n-hexadecane 4.28
    acetophenone 71.68
    methyl propionate 87.57
    isopentyl acetate 61.51
    trichloroethylene 136.3
    n-nonanol 40.79
    cyclohexanol 58.78
    benzyl alcohol 65.42
    2-ethylhexanol 44.11
    isooctanol 32.64
    dipropyl ether 48.35
    1,2-dichlorobenzene 29.39
    ethyl lactate 61.83
    propylene carbonate 78.19
    n-methylformamide 275.68
    2-pentanol 63.94
    n-pentane 7.78
    1-propoxy-2-propanol 104.75
    1-methoxy-2-propyl acetate 71.6
    2-(2-methoxypropoxy) propanol 101.77
    mesitylene 11.34
    ε-caprolactone 91.13
    p-cymene 18.36
    epichlorohydrin 123.8
    1,1,1-trichloroethane 44.15
    2-aminoethanol 184.24
    morpholine-4-carbaldehyde 237.44
    sulfolane 128.79
    2,2,4-trimethylpentane 5.52
    2-methyltetrahydrofuran 81.17
    n-hexyl acetate 66.06
    isooctane 3.96
    2-(2-butoxyethoxy)ethanol 129.84
    sec-butyl acetate 49.33
    tert-butyl acetate 48.42
    decalin 5.04
    glycerin 179.22
    diglyme 258.98
    acrylic acid 217.46
    isopropyl myristate 26.42
    n-butyric acid 136.51
    acetyl acetate 64.95
    di(2-ethylhexyl) phthalate 29.47
    ethyl propionate 58.95
    nitromethane 543.39
    1,2-diethoxyethane 105.79
    benzonitrile 65.33
    trioctyl phosphate 23.36
    1-bromopropane 32.0
    gamma-valerolactone 166.24
    n-decanol 30.82
    triethyl phosphate 32.33
    4-methyl-2-pentanol 35.42
    propionitrile 107.76
    vinylene carbonate 87.88
    1,1,2-trichlorotrifluoroethane 183.65
    DMS 62.29
    cumene 14.15
    2-octanol 27.33
    2-hexanone 81.69
    octyl acetate 37.29
    limonene 25.41
    1,2-dimethoxyethane 220.8
    ethyl orthosilicate 32.15
    tributyl phosphate 29.44
    diacetone alcohol 94.88
    N,N-dimethylaniline 46.59
    acrylonitrile 168.1
    aniline 50.79
    1,3-propanediol 186.91
    bromobenzene 18.78
    dibromomethane 59.6
    1,1,2,2-tetrachloroethane 83.02
    2-methyl-cyclohexyl acetate 46.86
    tetrabutyl urea 44.48
    diisobutyl methanol 26.08
    2-phenylethanol 55.02
    styrene 19.91
    dioctyl adipate 47.45
    dimethyl sulfate 78.52
    ethyl butyrate 67.83
    methyl lactate 79.06
    butyl lactate 51.34
    diethyl carbonate 49.59
    propanediol butyl ether 106.5
    triethyl orthoformate 48.45
    p-tert-butyltoluene 16.17
    methyl 4-tert-butylbenzoate 64.61
    morpholine 153.37
    tert-butylamine 56.49
    n-dodecanol 24.57
    dimethoxymethane 131.15
    ethylene carbonate 61.76
    cyrene 85.37
    2-ethoxyethyl acetate 77.7
    2-ethylhexyl acetate 45.48
    1,2,4-trichlorobenzene 41.32
    4-methylpyridine 83.17
    dibutyl ether 46.51
    2,6-dimethyl-4-heptanol 26.08
    DEF 129.42
    dimethyl isosorbide 107.9
    tetrachloroethylene 76.8
    eugenol 77.14
    triacetin 88.65
    span 80 70.61
    1,4-butanediol 106.45
    1,1-dichloroethane 52.2
    2-methyl-1-pentanol 67.01
    methyl formate 202.96
    2-methyl-1-butanol 76.18
    n-decane 6.29
    butyronitrile 84.99
    3,7-dimethyl-1-octanol 46.12
    1-chlorooctane 20.35
    1-chlorotetradecane 9.35
    n-nonane 6.32
    undecane 4.96
    tert-butylcyclohexane 5.54
    cyclooctane 3.38
    cyclopentanol 65.19
    tetrahydropyran 71.99
    tert-amyl methyl ether 53.31
    2,5,8-trioxanonane 164.91
    1-hexene 19.1
    2-isopropoxyethanol 129.2
    2,2,2-trifluoroethanol 213.9
    methyl butyrate 89.74

    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