Propyne

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  • Identifiers

    CAS number
    74-99-7

    Molecular formula
    C3H4

    SMILES
    CC#C

    Safety labels

    Flammable
    Flammable

    Compressed Gas
    Compressed Gas

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 39.51%
    Pungent 38.94%
    Gassy 34.84%
    Nutty 30.06%
    Musty 27.76%
    Green 27.49%
    Sharp 26.12%
    Sweet 23.71%
    Phenolic 23.18%
    Solvent 20.92%

     

    Flavor
    Bitter 33.75%
    Sulfur 22.29%
    Fishy 21.8%
    Mustard 21.2%
    Rotten 20.56%
    Decomposing cabbage 20.24%
    Pungent 20.11%
    Sulfurous 19.76%
    Mousy 19.69%
    Formyl 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    9.96 (weak base)

    Molecular weight
    40.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -153 °F (NIOSH, 2024)
    • -102.7 °C
    • -153 °F

    Boiling point

    • -10 °F at 760 mmHg (NIOSH, 2024)
    • -23.2 °C
    • -10 °F

    Flash point

    • -88.73 ˚C est.
    • Flammable gas
    • NA (Gas)

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • In water, 3,640 mg/L at 25 °C
    • Very sol in alcohol; sol in chloroform, benzene
    • Solubility in water, g/100ml: 0.36
    • Insoluble

  • Synonyms

    • Propyne
    • Methylacetylene
    • prop-1-yne
    • 74-99-7
    • 1-PROPYNE
    • Methyl acetylene
    • Allylene
    • Acetylene, methyl-
    • METHYLACETYLENE-D1
    • CCRIS 6830
    • HSDB 2508
    • EINECS 200-828-4
    • UNII-086L40ET1B
    • BRN 0878138
    • CHEBI:48086
    • Methyl-d3-acetylene
    • 086L40ET1B
    • MFCD00036235
    • 7299-37-8
    • DTXSID0026387
    • 4-01-00-00958 (Beilstein Handbook Reference)
    • Propyne, ca. 4% in N,N-Dimethylformamide, ca. 1.0mol/L
    • Propynylidyne
    • Allylene; Methylacetylene; Propine
    • Propyne, >=97%
    • Propyne, >=99%
    • 1-PROPYNE [HSDB]
    • CH3C.$.CH
    • CHEMBL116902
    • DTXCID406387
    • AKOS009104530
    • Prop-1-yne, ca 3% solution in heptane
    • DA-65397
    • InChI=1/C3H4/c1-3-2/h1H,2H
    • NS00019844
    • P1881
    • P2152
    • P2295
    • Q151446
    • Propyne (ca. 5% in Tetrahydrofuran, ca. 1 mol/L)
    • Q3407647
    • 200-828-4
    • 28391-48-2

  • Applications

    Propyne (CAS 74-99-7) is primarily used as an industrial chemical intermediate and building block for organic synthesis. In practice, it is commonly employed as a precursor to propargyl and other alkynyl derivatives, supporting the production of fine chemicals and specialty intermediates. It also serves as a reactive feedstock in polymer chemistry for the development of specialty polymers and related materials. In research and development settings, propyne is used in organometallic and catalytic studies that explore C≡C bond functionalization. Depending on formulation and local regulations, it may be considered for niche electronics-related materials research as a precursor.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1139.57
    methanol 1340.04
    isopropanol 795.02
    water 52.51
    ethyl acetate 486.12
    n-propanol 827.66
    acetone 751.47
    n-butanol 751.94
    acetonitrile 562.34
    DMF 969.82
    toluene 172.54
    isobutanol 564.31
    1,4-dioxane 762.8
    methyl acetate 552.21
    THF 899.96
    2-butanone 589.85
    n-pentanol 475.74
    sec-butanol 647.7
    n-hexane 263.17
    ethylene glycol 696.69
    NMP 718.48
    cyclohexane 227.76
    DMSO 590.97
    n-butyl acetate 409.2
    n-octanol 360.23
    chloroform 702.55
    n-propyl acetate 299.13
    acetic acid 1106.34
    dichloromethane 503.03
    cyclohexanone 502.74
    propylene glycol 800.51
    isopropyl acetate 271.47
    DMAc 792.13
    2-ethoxyethanol 623.72
    isopentanol 455.58
    n-heptane 299.56
    ethyl formate 289.74
    1,2-dichloroethane 301.95
    n-hexanol 817.87
    2-methoxyethanol 1111.73
    isobutyl acetate 203.46
    tetrachloromethane 267.42
    n-pentyl acetate 219.1
    transcutol 1116.19
    n-heptanol 349.76
    ethylbenzene 101.62
    MIBK 248.83
    2-propoxyethanol 990.55
    tert-butanol 741.13
    MTBE 488.38
    2-butoxyethanol 493.63
    propionic acid 793.08
    o-xylene 129.76
    formic acid 517.82
    diethyl ether 620.38
    m-xylene 122.08
    p-xylene 128.38
    chlorobenzene 175.71
    dimethyl carbonate 225.44
    n-octane 84.86
    formamide 473.05
    cyclopentanone 627.69
    2-pentanone 457.21
    anisole 245.3
    cyclopentyl methyl ether 481.04
    gamma-butyrolactone 565.73
    1-methoxy-2-propanol 848.56
    pyridine 422.91
    3-pentanone 410.56
    furfural 433.94
    n-dodecane 60.77
    diethylene glycol 780.15
    diisopropyl ether 198.27
    tert-amyl alcohol 617.04
    acetylacetone 389.69
    n-hexadecane 61.75
    acetophenone 196.33
    methyl propionate 463.96
    isopentyl acetate 289.37
    trichloroethylene 470.41
    n-nonanol 299.14
    cyclohexanol 514.89
    benzyl alcohol 217.48
    2-ethylhexanol 415.33
    isooctanol 237.21
    dipropyl ether 517.75
    1,2-dichlorobenzene 143.94
    ethyl lactate 230.87
    propylene carbonate 325.57
    n-methylformamide 589.66
    2-pentanol 508.97
    n-pentane 255.22
    1-propoxy-2-propanol 799.05
    1-methoxy-2-propyl acetate 372.21
    2-(2-methoxypropoxy) propanol 357.94
    mesitylene 77.01
    ε-caprolactone 406.82
    p-cymene 107.73
    epichlorohydrin 450.99
    1,1,1-trichloroethane 393.54
    2-aminoethanol 927.46
    morpholine-4-carbaldehyde 730.69
    sulfolane 497.67
    2,2,4-trimethylpentane 96.73
    2-methyltetrahydrofuran 670.38
    n-hexyl acetate 351.5
    isooctane 69.99
    2-(2-butoxyethoxy)ethanol 520.95
    sec-butyl acetate 200.69
    tert-butyl acetate 277.76
    decalin 80.83
    glycerin 888.01
    diglyme 767.85
    acrylic acid 686.78
    isopropyl myristate 144.97
    n-butyric acid 673.15
    acetyl acetate 298.62
    di(2-ethylhexyl) phthalate 120.12
    ethyl propionate 277.61
    nitromethane 818.59
    1,2-diethoxyethane 396.46
    benzonitrile 194.16
    trioctyl phosphate 112.33
    1-bromopropane 305.92
    gamma-valerolactone 658.32
    n-decanol 225.37
    triethyl phosphate 126.87
    4-methyl-2-pentanol 260.66
    propionitrile 434.3
    vinylene carbonate 279.03
    1,1,2-trichlorotrifluoroethane 607.71
    DMS 255.63
    cumene 79.68
    2-octanol 222.72
    2-hexanone 340.29
    octyl acetate 205.64
    limonene 204.02
    1,2-dimethoxyethane 639.91
    ethyl orthosilicate 131.75
    tributyl phosphate 124.77
    diacetone alcohol 412.99
    N,N-dimethylaniline 175.4
    acrylonitrile 438.89
    aniline 287.43
    1,3-propanediol 801.8
    bromobenzene 149.34
    dibromomethane 407.87
    1,1,2,2-tetrachloroethane 434.86
    2-methyl-cyclohexyl acetate 204.56
    tetrabutyl urea 175.93
    diisobutyl methanol 199.42
    2-phenylethanol 273.16
    styrene 133.98
    dioctyl adipate 177.11
    dimethyl sulfate 255.17
    ethyl butyrate 295.47
    methyl lactate 372.75
    butyl lactate 227.66
    diethyl carbonate 187.21
    propanediol butyl ether 507.2
    triethyl orthoformate 213.32
    p-tert-butyltoluene 112.29
    methyl 4-tert-butylbenzoate 212.77
    morpholine 912.22
    tert-butylamine 540.04
    n-dodecanol 183.1
    dimethoxymethane 552.38
    ethylene carbonate 255.24
    cyrene 239.82
    2-ethoxyethyl acetate 274.19
    2-ethylhexyl acetate 250.75
    1,2,4-trichlorobenzene 184.22
    4-methylpyridine 346.21
    dibutyl ether 314.18
    2,6-dimethyl-4-heptanol 199.42
    DEF 507.08
    dimethyl isosorbide 338.09
    tetrachloroethylene 374.26
    eugenol 222.37
    triacetin 323.78
    span 80 394.81
    1,4-butanediol 405.27
    1,1-dichloroethane 389.36
    2-methyl-1-pentanol 339.45
    methyl formate 368.96
    2-methyl-1-butanol 492.9
    n-decane 94.83
    butyronitrile 380.01
    3,7-dimethyl-1-octanol 282.76
    1-chlorooctane 190.99
    1-chlorotetradecane 87.91
    n-nonane 105.54
    undecane 71.93
    tert-butylcyclohexane 89.04
    cyclooctane 99.78
    cyclopentanol 587.86
    tetrahydropyran 703.08
    tert-amyl methyl ether 414.22
    2,5,8-trioxanonane 500.08
    1-hexene 366.72
    2-isopropoxyethanol 433.97
    2,2,2-trifluoroethanol 427.91
    methyl butyrate 329.65

    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