Acrolein dimer

Overview IFRA Request a quote

  • Identifiers

    CAS number
    100-73-2

    Molecular formula
    C6H8O2

    SMILES
    C1CC(OC=C1)C=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 49.68%
    Sweet 47.75%
    Green 46.39%
    Fruity 44.09%
    Nutty 41.24%
    Caramellic 37.45%
    Herbal 36.66%
    Pungent 32.09%
    Almond 30.99%
    Buttery 27.71%

     

    Flavor
    Sweet 30.86%
    Caramel 29.67%
    Spice 28.38%
    Oily 26.02%
    Fatty 24.34%
    Warm 22.27%
    Bitter 21.67%
    Almond 21.07%
    Spicy 20.79%
    Shrimp 20.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.96 (weak acid)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 57.78 ˚C est.
    • 118 °F (NFPA, 2010)

  • Synonyms

    • 100-73-2
    • 3,4-Dihydro-2H-pyran-2-carbaldehyde
    • Acrolein dimer
    • 2-Formyl-3,4-dihydro-2H-pyran
    • Pyran aldehyde
    • 2-Propenal dimer
    • 3,4-Dihydro-2H-pyran-2-carboxaldehyde
    • 2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-
    • 5-Hexenal, 2,6-epoxy-
    • NSC 95413
    • 2,3-Dihydro-1,4-pyran-2-karboxaldehyd
    • EINECS 202-884-5
    • 49SA3RBS5H
    • UN2607
    • BRN 0107244
    • NSC-95413
    • Acrolein dimer, stabilized
    • 2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]
    • UNII-49SA3RBS5H
    • UN 2607 (Salt/Mix)
    • DTXSID30274151
    • 5-17-09-00131 (Beilstein Handbook Reference)
    • 3,4-Dihydro-2-carboxaldehyde-2H-pyran
    • ACROLEIN DIMER, (STABILIZED)
    • ACROLEIN DIMER, [STABILIZED]
    • Pyrancarboxaldehyde, dihydro-
    • 2,6-epoxy-5-hexenal
    • 2Propenal dimer
    • 5-Hexenal,6-epoxy-
    • 5Hexenal, 2,6epoxy
    • 2Formyl3,4dihydro2Hpyran
    • 2-PROPENAL, DIMER
    • WLN: T6O BUTJ FVH
    • 2-Formyl-3,4-dihydropyran
    • Acroleine, dimere, stabilise
    • SCHEMBL259004
    • Pyran aldehyde (Acrolein dimer)
    • 3,4Dihydro2Hpyran2carboxaldehyde
    • DTXCID60196554
    • 2,3Dihydro1,4pyran2karboxaldehyd
    • 3,4-Dihydro-2-formyl-2H-pyran
    • NSC95413
    • Dimero de la acroleina, estabilizado
    • MFCD00059170
    • AKOS009156968
    • 2H-Pyran-2-carboxaldehyde,4-dihydro-
    • 3,4-dihydro-2H-pyran-2-carboxaldeyde
    • PB24581
    • 3,4-Dihydro-2H-pyran-2-carbaldehyde #
    • AS-33162
    • Acroleine, dimere, stabilise (French DOT)
    • DB-023437
    • NS00041512
    • EN300-50137
    • A934015
    • Dimero de la acroleina, estabilizado (Spanish DOT)
    • Q18018102
    • Z600389890
    • Acrolein dimer, stabilized [UN2607] [Flammable liquid]

  • Applications

    Acrolein dimer (CAS 100-73-2) is primarily used as an intermediate in organic synthesis and can serve as a crosslinking agent in polymer resins, coatings, and adhesives; it also functions as a building block for acrylic-based polymers and specialty resins in plastics manufacturing; in research and development, it is encountered as a precursor to other aldehyde-containing compounds; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.52
    methanol 314.9
    isopropanol 81.79
    water 7.61
    ethyl acetate 206.56
    n-propanol 111.96
    acetone 185.74
    n-butanol 90.98
    acetonitrile 258.25
    DMF 508.41
    toluene 70.01
    isobutanol 70.37
    1,4-dioxane 339.5
    methyl acetate 221.07
    THF 230.07
    2-butanone 132.27
    n-pentanol 66.28
    sec-butanol 63.15
    n-hexane 3.49
    ethylene glycol 126.2
    NMP 319.13
    cyclohexane 11.06
    DMSO 721.04
    n-butyl acetate 100.88
    n-octanol 39.4
    chloroform 388.84
    n-propyl acetate 90.47
    acetic acid 405.51
    dichloromethane 423.08
    cyclohexanone 178.45
    propylene glycol 83.18
    isopropyl acetate 78.36
    DMAc 300.11
    2-ethoxyethanol 176.45
    isopentanol 74.94
    n-heptane 5.96
    ethyl formate 154.22
    1,2-dichloroethane 257.53
    n-hexanol 72.75
    2-methoxyethanol 345.08
    isobutyl acetate 49.99
    tetrachloromethane 44.91
    n-pentyl acetate 51.34
    transcutol 1055.47
    n-heptanol 30.77
    ethylbenzene 28.55
    MIBK 60.28
    2-propoxyethanol 171.07
    tert-butanol 99.66
    MTBE 55.03
    2-butoxyethanol 95.06
    propionic acid 220.74
    o-xylene 52.49
    formic acid 302.27
    diethyl ether 84.54
    m-xylene 52.67
    p-xylene 38.29
    chlorobenzene 139.97
    dimethyl carbonate 87.23
    n-octane 2.62
    formamide 380.02
    cyclopentanone 199.01
    2-pentanone 99.8
    anisole 91.59
    cyclopentyl methyl ether 94.59
    gamma-butyrolactone 336.75
    1-methoxy-2-propanol 188.36
    pyridine 314.77
    3-pentanone 76.52
    furfural 415.12
    n-dodecane 3.54
    diethylene glycol 247.08
    diisopropyl ether 21.33
    tert-amyl alcohol 72.05
    acetylacetone 168.03
    n-hexadecane 3.98
    acetophenone 96.51
    methyl propionate 151.69
    isopentyl acetate 73.74
    trichloroethylene 485.24
    n-nonanol 35.43
    cyclohexanol 86.1
    benzyl alcohol 94.61
    2-ethylhexanol 43.17
    isooctanol 27.27
    dipropyl ether 46.42
    1,2-dichlorobenzene 124.35
    ethyl lactate 67.12
    propylene carbonate 184.67
    n-methylformamide 311.88
    2-pentanol 49.62
    n-pentane 4.58
    1-propoxy-2-propanol 109.25
    1-methoxy-2-propyl acetate 117.32
    2-(2-methoxypropoxy) propanol 149.07
    mesitylene 31.58
    ε-caprolactone 179.2
    p-cymene 25.43
    epichlorohydrin 325.33
    1,1,1-trichloroethane 175.56
    2-aminoethanol 151.95
    morpholine-4-carbaldehyde 411.2
    sulfolane 357.09
    2,2,4-trimethylpentane 4.27
    2-methyltetrahydrofuran 136.37
    n-hexyl acetate 80.22
    isooctane 3.89
    2-(2-butoxyethoxy)ethanol 207.61
    sec-butyl acetate 52.49
    tert-butyl acetate 72.02
    decalin 6.93
    glycerin 166.84
    diglyme 388.22
    acrylic acid 258.32
    isopropyl myristate 32.53
    n-butyric acid 208.28
    acetyl acetate 145.13
    di(2-ethylhexyl) phthalate 45.46
    ethyl propionate 82.85
    nitromethane 692.02
    1,2-diethoxyethane 172.49
    benzonitrile 160.58
    trioctyl phosphate 28.14
    1-bromopropane 93.39
    gamma-valerolactone 332.61
    n-decanol 28.03
    triethyl phosphate 43.28
    4-methyl-2-pentanol 32.86
    propionitrile 170.03
    vinylene carbonate 216.67
    1,1,2-trichlorotrifluoroethane 318.66
    DMS 117.38
    cumene 21.89
    2-octanol 20.32
    2-hexanone 68.84
    octyl acetate 42.58
    limonene 34.51
    1,2-dimethoxyethane 238.79
    ethyl orthosilicate 39.69
    tributyl phosphate 41.56
    diacetone alcohol 108.26
    N,N-dimethylaniline 58.96
    acrylonitrile 278.59
    aniline 134.6
    1,3-propanediol 170.34
    bromobenzene 133.77
    dibromomethane 221.47
    1,1,2,2-tetrachloroethane 335.77
    2-methyl-cyclohexyl acetate 56.01
    tetrabutyl urea 58.07
    diisobutyl methanol 30.79
    2-phenylethanol 87.8
    styrene 44.77
    dioctyl adipate 61.45
    dimethyl sulfate 154.37
    ethyl butyrate 79.23
    methyl lactate 109.23
    butyl lactate 63.49
    diethyl carbonate 66.72
    propanediol butyl ether 118.99
    triethyl orthoformate 59.13
    p-tert-butyltoluene 23.71
    methyl 4-tert-butylbenzoate 82.55
    morpholine 330.05
    tert-butylamine 53.35
    n-dodecanol 22.85
    dimethoxymethane 206.68
    ethylene carbonate 149.41
    cyrene 109.62
    2-ethoxyethyl acetate 112.83
    2-ethylhexyl acetate 56.04
    1,2,4-trichlorobenzene 151.46
    4-methylpyridine 214.44
    dibutyl ether 46.89
    2,6-dimethyl-4-heptanol 30.79
    DEF 180.38
    dimethyl isosorbide 199.27
    tetrachloroethylene 237.72
    eugenol 98.35
    triacetin 121.93
    span 80 106.91
    1,4-butanediol 73.74
    1,1-dichloroethane 187.6
    2-methyl-1-pentanol 59.53
    methyl formate 247.66
    2-methyl-1-butanol 67.03
    n-decane 4.73
    butyronitrile 130.28
    3,7-dimethyl-1-octanol 46.02
    1-chlorooctane 23.18
    1-chlorotetradecane 11.39
    n-nonane 4.22
    undecane 4.04
    tert-butylcyclohexane 6.19
    cyclooctane 4.28
    cyclopentanol 87.59
    tetrahydropyran 169.84
    tert-amyl methyl ether 44.44
    2,5,8-trioxanonane 298.6
    1-hexene 17.72
    2-isopropoxyethanol 102.22
    2,2,2-trifluoroethanol 168.82
    methyl butyrate 109.39

    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