Allene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    463-49-0

    Molecular formula
    C3H4

    SMILES
    C=C=C

    Safety labels

    Flammable
    Flammable

    Compressed Gas
    Compressed Gas

  • Odor profile

    Fragrance
    Pungent 68.09%
    Gassy 40.78%
    Sharp 34.38%
    Alliaceous 32.45%
    Odorless 31.22%
    Ethereal 28.3%
    Fruity 24.72%
    Garlic 22.78%
    Green 20.16%
    Radish 20.04%

     

    Flavor
    Pungent 39.84%
    Mustard 32.86%
    Garlic 28.37%
    Rotten 22.1%
    Sulfur 21.53%
    Odorless 20.49%
    Formyl 20.25%
    Strong 18.67%
    Decomposing cabbage 18.47%
    Mousy 18.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    8.38 (weak base)

    Molecular weight
    40.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -136 °C

    Boiling point

    • -34.5 °C @ 760 MM HG

    Flash point

    • -108.17 ˚C est.

    Solubility expt.

    • INSOL IN WATER; SOL IN BENZENE, PETROLEUM ETHER

  • Synonyms

    • Allene
    • 1,2-Propadiene
    • PROPADIENE
    • 463-49-0
    • Dimethylenemethane
    • Sym-allylene
    • 4AV0LZ8QKB
    • DTXSID1029178
    • CHEBI:37601
    • RefChem:868638
    • DTXCID409178
    • 207-335-3
    • Propa-1,2-diene
    • MFCD00008566
    • Propadiene-d4
    • CH2=C=CH2
    • 60731-10-4
    • 12075-35-3
    • HSDB 5135
    • EINECS 207-335-3
    • UNII-4AV0LZ8QKB
    • UN2200
    • Propadiene, inhibited
    • Allene, >=95%
    • PROPADIENE [HSDB]
    • SCHEMBL37417
    • UN 2200 (Salt/Mix)
    • SCHEMBL115831
    • CHEMBL116960
    • SCHEMBL1225170
    • SCHEMBL1417803
    • SCHEMBL4215995
    • SCHEMBL5683108
    • 1,2-Propadiene-1,3-diylidene
    • DTXSID801027035
    • AKOS006221642
    • InChI=1/C3H4/c1-3-2/h1-2H
    • NS00044115
    • P2846
    • P2847
    • P2848
    • A827034
    • Propadiene, inhibited [UN2200] [Flammable gas]
    • Q422942
    • Allene (ca. 3.5% in Toluene, ca. 0.7 mol/L)
    • Allene (ca. 2% in Tetrahydrofuran, ca. 0.4 mol/L)
    • Allene (ca. 2% in N,N-Dimethylformamide, ca. 0.4 mol/L)
    • Allene

  • Applications

    Allene (CAS 463-49-0) is primarily used as a versatile building block in organic synthesis, serving as a reactive precursor for assembling substituted allenes and heterocyclic motifs via catalytic transformations. In industrial manufacturing and pharmaceutical development, it functions as a useful intermediate for accessing more complex drug-like and agrochemical structures. In polymer and materials science, it can be employed as a functional monomer or co-monomer to prepare polyallenes and related polymers, enabling specialty coatings and electronic-relevant materials. It is also utilized in research-scale synthesis to access diverse molecular architectures and natural-product-like scaffolds. Its use is typically limited to controlled processes and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.92
    methanol 138.91
    isopropanol 137.28
    water 1.61
    ethyl acetate 130.68
    n-propanol 145.67
    acetone 136.57
    n-butanol 152.32
    acetonitrile 87.75
    DMF 149.85
    toluene 73.0
    isobutanol 111.96
    1,4-dioxane 191.28
    methyl acetate 118.16
    THF 302.06
    2-butanone 143.68
    n-pentanol 103.62
    sec-butanol 144.61
    n-hexane 162.46
    ethylene glycol 65.95
    NMP 199.83
    cyclohexane 145.81
    DMSO 107.41
    n-butyl acetate 178.74
    n-octanol 121.48
    chloroform 203.97
    n-propyl acetate 88.48
    acetic acid 140.03
    dichloromethane 138.94
    cyclohexanone 170.35
    propylene glycol 105.13
    isopropyl acetate 92.02
    DMAc 172.4
    2-ethoxyethanol 111.83
    isopentanol 116.57
    n-heptane 237.21
    ethyl formate 57.63
    1,2-dichloroethane 89.56
    n-hexanol 252.8
    2-methoxyethanol 174.8
    isobutyl acetate 73.28
    tetrachloromethane 80.31
    n-pentyl acetate 84.74
    transcutol 304.6
    n-heptanol 119.1
    ethylbenzene 52.37
    MIBK 87.0
    2-propoxyethanol 258.69
    tert-butanol 183.97
    MTBE 166.94
    2-butoxyethanol 139.23
    propionic acid 128.63
    o-xylene 64.18
    formic acid 38.57
    diethyl ether 181.37
    m-xylene 59.57
    p-xylene 62.26
    chlorobenzene 67.12
    dimethyl carbonate 52.21
    n-octane 64.81
    formamide 39.34
    cyclopentanone 198.39
    2-pentanone 128.12
    anisole 96.81
    cyclopentyl methyl ether 191.84
    gamma-butyrolactone 164.49
    1-methoxy-2-propanol 178.4
    pyridine 119.98
    3-pentanone 128.18
    furfural 116.54
    n-dodecane 41.32
    diethylene glycol 146.46
    diisopropyl ether 94.47
    tert-amyl alcohol 182.04
    acetylacetone 104.33
    n-hexadecane 43.12
    acetophenone 75.3
    methyl propionate 113.75
    isopentyl acetate 145.21
    trichloroethylene 145.63
    n-nonanol 114.65
    cyclohexanol 148.86
    benzyl alcohol 61.09
    2-ethylhexanol 194.82
    isooctanol 91.35
    dipropyl ether 282.73
    1,2-dichlorobenzene 61.26
    ethyl lactate 63.88
    propylene carbonate 108.43
    n-methylformamide 72.05
    2-pentanol 140.84
    n-pentane 130.92
    1-propoxy-2-propanol 280.78
    1-methoxy-2-propyl acetate 154.04
    2-(2-methoxypropoxy) propanol 150.39
    mesitylene 45.25
    ε-caprolactone 141.39
    p-cymene 75.28
    epichlorohydrin 132.86
    1,1,1-trichloroethane 141.49
    2-aminoethanol 111.32
    morpholine-4-carbaldehyde 170.25
    sulfolane 172.69
    2,2,4-trimethylpentane 59.05
    2-methyltetrahydrofuran 236.09
    n-hexyl acetate 134.24
    isooctane 47.51
    2-(2-butoxyethoxy)ethanol 180.01
    sec-butyl acetate 77.49
    tert-butyl acetate 116.46
    decalin 56.41
    glycerin 113.09
    diglyme 256.28
    acrylic acid 104.75
    isopropyl myristate 83.74
    n-butyric acid 151.85
    acetyl acetate 85.79
    di(2-ethylhexyl) phthalate 62.48
    ethyl propionate 95.26
    nitromethane 109.63
    1,2-diethoxyethane 160.77
    benzonitrile 58.45
    trioctyl phosphate 55.7
    1-bromopropane 116.27
    gamma-valerolactone 175.16
    n-decanol 96.68
    triethyl phosphate 73.01
    4-methyl-2-pentanol 89.46
    propionitrile 96.46
    vinylene carbonate 79.49
    1,1,2-trichlorotrifluoroethane 147.89
    DMS 90.44
    cumene 46.56
    2-octanol 81.98
    2-hexanone 107.0
    octyl acetate 104.55
    limonene 138.27
    1,2-dimethoxyethane 163.88
    ethyl orthosilicate 78.35
    tributyl phosphate 66.17
    diacetone alcohol 139.45
    N,N-dimethylaniline 82.99
    acrylonitrile 83.06
    aniline 86.76
    1,3-propanediol 110.09
    bromobenzene 67.08
    dibromomethane 130.17
    1,1,2,2-tetrachloroethane 146.82
    2-methyl-cyclohexyl acetate 121.29
    tetrabutyl urea 88.46
    diisobutyl methanol 115.33
    2-phenylethanol 97.32
    styrene 61.82
    dioctyl adipate 95.86
    dimethyl sulfate 65.23
    ethyl butyrate 144.38
    methyl lactate 82.03
    butyl lactate 83.71
    diethyl carbonate 94.99
    propanediol butyl ether 123.95
    triethyl orthoformate 119.85
    p-tert-butyltoluene 79.17
    methyl 4-tert-butylbenzoate 106.15
    morpholine 219.55
    tert-butylamine 162.58
    n-dodecanol 84.09
    dimethoxymethane 117.04
    ethylene carbonate 72.22
    cyrene 88.59
    2-ethoxyethyl acetate 90.15
    2-ethylhexyl acetate 131.31
    1,2,4-trichlorobenzene 79.77
    4-methylpyridine 105.74
    dibutyl ether 166.7
    2,6-dimethyl-4-heptanol 115.33
    DEF 138.29
    dimethyl isosorbide 169.8
    tetrachloroethylene 107.63
    eugenol 92.41
    triacetin 123.12
    span 80 173.25
    1,4-butanediol 59.68
    1,1-dichloroethane 119.06
    2-methyl-1-pentanol 92.95
    methyl formate 50.03
    2-methyl-1-butanol 121.65
    n-decane 65.4
    butyronitrile 95.66
    3,7-dimethyl-1-octanol 122.75
    1-chlorooctane 100.22
    1-chlorotetradecane 55.42
    n-nonane 73.49
    undecane 49.5
    tert-butylcyclohexane 62.59
    cyclooctane 77.56
    cyclopentanol 160.82
    tetrahydropyran 227.7
    tert-amyl methyl ether 159.35
    2,5,8-trioxanonane 194.4
    1-hexene 172.54
    2-isopropoxyethanol 100.09
    2,2,2-trifluoroethanol 53.29
    methyl butyrate 103.31

    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