Dipropargyl

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  • Identifiers

    CAS number
    628-16-0

    Molecular formula
    C6H6

    SMILES
    C#CCCC#C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 61.36%
    Sweet 44.27%
    Green 40.5%
    Spicy 27.66%
    Fresh 26.9%
    Metallic 26.9%
    Citrus 26.81%
    Geranium 26.3%
    Waxy 23.4%
    Fruity 23.2%

     

    Flavor
    Bitter 37.14%
    Nitrile 19.63%
    Odorless 18.82%
    Rotten 17.41%
    Glue 16.87%
    Bloody 16.76%
    Formyl 16.76%
    Very strong 16.65%
    Oriental 16.63%
    Scallion 16.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.68 (neutral)

    Molecular weight
    78.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    89°C

    Flash point

    • 8.68 ˚C est.

  • Synonyms

    • 1,5-Hexadiyne
    • hexa-1,5-diyne
    • 628-16-0
    • Bipropargyl
    • Dipropargyl
    • Z4BAA98LQQ
    • EINECS 211-029-5
    • NSC 155174
    • NSC-155174
    • DTXSID6060848
    • CHEBI:37821
    • RefChem:589073
    • DTXCID7043538
    • 211-029-5
    • HC#CCH2CH2C#CH
    • MFCD00014924
    • 1,5-Hexadiyne (stabilized with BHT)
    • NSC155174
    • HCCCH2CH2CCH
    • UNII-Z4BAA98LQQ
    • SCHEMBL28848
    • SCHEMBL111375
    • SCHEMBL223825
    • SCHEMBL5964839
    • AKOS022623515
    • NS00035180
    • T72733
    • Q27117280
    • InChI=1/C6H6/c1-3-5-6-4-2/h1-2H,5-6H
    • 628-16-0

  • Applications

    Dipropargyl, CAS 628-16-0, is used primarily as a crosslinking agent for epoxy resins and other polymers, leveraging its two reactive propargyl groups; it is also employed as a monomer or intermediate in the synthesis of specialty polymers. In the coatings and inks sector, it serves as a crosslinking component to improve film durability and chemical resistance. In adhesive formulations, it functions as a crosslinker to enhance bond strength. Additionally, Dipropargyl serves as an intermediate in industrial manufacturing for the preparation of polymer systems and other specialty materials, depending on formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.31
    methanol 195.4
    isopropanol 174.95
    water 1.56
    ethyl acetate 241.96
    n-propanol 170.87
    acetone 364.4
    n-butanol 163.93
    acetonitrile 259.25
    DMF 631.99
    toluene 89.22
    isobutanol 150.06
    1,4-dioxane 301.47
    methyl acetate 303.79
    THF 374.87
    2-butanone 314.8
    n-pentanol 115.52
    sec-butanol 155.4
    n-hexane 69.29
    ethylene glycol 95.6
    NMP 423.32
    cyclohexane 79.41
    DMSO 435.37
    n-butyl acetate 167.29
    n-octanol 95.66
    chloroform 623.76
    n-propyl acetate 165.94
    acetic acid 208.11
    dichloromethane 493.76
    cyclohexanone 327.09
    propylene glycol 127.81
    isopropyl acetate 147.81
    DMAc 424.12
    2-ethoxyethanol 166.63
    isopentanol 136.4
    n-heptane 72.78
    ethyl formate 174.92
    1,2-dichloroethane 292.54
    n-hexanol 144.8
    2-methoxyethanol 300.46
    isobutyl acetate 113.16
    tetrachloromethane 162.93
    n-pentyl acetate 110.52
    transcutol 328.69
    n-heptanol 89.99
    ethylbenzene 70.69
    MIBK 146.85
    2-propoxyethanol 213.56
    tert-butanol 206.24
    MTBE 163.68
    2-butoxyethanol 137.88
    propionic acid 258.62
    o-xylene 72.45
    formic acid 62.29
    diethyl ether 166.1
    m-xylene 72.42
    p-xylene 94.6
    chlorobenzene 155.63
    dimethyl carbonate 145.26
    n-octane 29.38
    formamide 109.45
    cyclopentanone 470.28
    2-pentanone 229.54
    anisole 150.21
    cyclopentyl methyl ether 206.24
    gamma-butyrolactone 480.26
    1-methoxy-2-propanol 255.78
    pyridine 247.82
    3-pentanone 212.96
    furfural 397.0
    n-dodecane 22.91
    diethylene glycol 167.13
    diisopropyl ether 66.32
    tert-amyl alcohol 172.63
    acetylacetone 285.55
    n-hexadecane 25.05
    acetophenone 158.55
    methyl propionate 245.91
    isopentyl acetate 135.48
    trichloroethylene 577.7
    n-nonanol 86.53
    cyclohexanol 144.18
    benzyl alcohol 111.66
    2-ethylhexanol 105.7
    isooctanol 76.01
    dipropyl ether 165.69
    1,2-dichlorobenzene 158.21
    ethyl lactate 117.09
    propylene carbonate 286.76
    n-methylformamide 275.82
    2-pentanol 129.78
    n-pentane 54.4
    1-propoxy-2-propanol 193.62
    1-methoxy-2-propyl acetate 159.99
    2-(2-methoxypropoxy) propanol 137.15
    mesitylene 54.52
    ε-caprolactone 250.96
    p-cymene 61.12
    epichlorohydrin 350.53
    1,1,1-trichloroethane 376.98
    2-aminoethanol 138.48
    morpholine-4-carbaldehyde 378.57
    sulfolane 531.14
    2,2,4-trimethylpentane 27.91
    2-methyltetrahydrofuran 269.79
    n-hexyl acetate 152.11
    isooctane 23.6
    2-(2-butoxyethoxy)ethanol 167.88
    sec-butyl acetate 109.79
    tert-butyl acetate 156.8
    decalin 39.3
    glycerin 173.6
    diglyme 337.48
    acrylic acid 235.7
    isopropyl myristate 76.99
    n-butyric acid 267.98
    acetyl acetate 185.62
    di(2-ethylhexyl) phthalate 64.74
    ethyl propionate 168.02
    nitromethane 428.92
    1,2-diethoxyethane 140.84
    benzonitrile 154.96
    trioctyl phosphate 58.84
    1-bromopropane 203.8
    gamma-valerolactone 424.89
    n-decanol 68.81
    triethyl phosphate 84.92
    4-methyl-2-pentanol 79.16
    propionitrile 231.81
    vinylene carbonate 273.44
    1,1,2-trichlorotrifluoroethane 363.14
    DMS 144.03
    cumene 57.09
    2-octanol 66.86
    2-hexanone 180.41
    octyl acetate 92.51
    limonene 94.3
    1,2-dimethoxyethane 312.64
    ethyl orthosilicate 79.56
    tributyl phosphate 65.85
    diacetone alcohol 200.04
    N,N-dimethylaniline 118.18
    acrylonitrile 303.7
    aniline 119.2
    1,3-propanediol 160.3
    bromobenzene 167.35
    dibromomethane 347.82
    1,1,2,2-tetrachloroethane 485.2
    2-methyl-cyclohexyl acetate 112.28
    tetrabutyl urea 94.4
    diisobutyl methanol 78.74
    2-phenylethanol 106.92
    styrene 93.37
    dioctyl adipate 106.12
    dimethyl sulfate 243.46
    ethyl butyrate 163.72
    methyl lactate 178.18
    butyl lactate 104.21
    diethyl carbonate 116.27
    propanediol butyl ether 134.32
    triethyl orthoformate 112.08
    p-tert-butyltoluene 61.13
    methyl 4-tert-butylbenzoate 139.78
    morpholine 303.57
    tert-butylamine 144.08
    n-dodecanol 57.99
    dimethoxymethane 265.23
    ethylene carbonate 208.81
    cyrene 142.83
    2-ethoxyethyl acetate 126.33
    2-ethylhexyl acetate 114.42
    1,2,4-trichlorobenzene 182.11
    4-methylpyridine 233.06
    dibutyl ether 119.42
    2,6-dimethyl-4-heptanol 78.74
    DEF 280.55
    dimethyl isosorbide 200.26
    tetrachloroethylene 325.51
    eugenol 132.18
    triacetin 163.32
    span 80 141.08
    1,4-butanediol 79.92
    1,1-dichloroethane 333.04
    2-methyl-1-pentanol 98.88
    methyl formate 229.77
    2-methyl-1-butanol 134.5
    n-decane 34.36
    butyronitrile 196.27
    3,7-dimethyl-1-octanol 90.88
    1-chlorooctane 88.8
    1-chlorotetradecane 43.41
    n-nonane 36.68
    undecane 27.06
    tert-butylcyclohexane 40.8
    cyclooctane 33.61
    cyclopentanol 195.12
    tetrahydropyran 253.38
    tert-amyl methyl ether 133.71
    2,5,8-trioxanonane 235.91
    1-hexene 136.26
    2-isopropoxyethanol 129.76
    2,2,2-trifluoroethanol 115.09
    methyl butyrate 226.77

    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