Acrolein dimethyl acetal

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  • Identifiers

    CAS number
    6044-68-4

    Molecular formula
    C5H10O2

    SMILES
    COC(C=C)OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 71.32%
    Ethereal 68.72%
    Pungent 51.81%
    Fresh 49.33%
    Sharp 47.89%
    Green 45.41%
    Rummy 33.03%
    Alcoholic 32.23%
    Apple 29.75%
    Sweet 27.13%

     

    Flavor
    Fruity 49.39%
    Green 42.9%
    Bitter 38.74%
    Nutty 35.51%
    Pungent 34.65%
    Vegetable 31.62%
    Ethereal 31.37%
    Musty 29.35%
    Earthy 28.75%
    Floral 26.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.71 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    88°C

    Flash point

    • -3.94 ˚C est.

  • Synonyms

    • Acrolein dimethyl acetal
    • 3,3-Dimethoxy-1-propene
    • 3,3-Dimethoxypropene
    • 3,3Dimethoxypropene
    • 3,3Dimethoxy1propene
    • 3,3Dimethoxypropene1
    • 1Propene, 3,3dimethoxy
    • RefChem:552704
    • 227-936-4
    • 6044-68-4
    • 3,3-dimethoxyprop-1-ene
    • 1-Propene, 3,3-dimethoxy-
    • 3,3-Dimethoxypropene-1
    • acroleindimethylacetal
    • MFCD00008632
    • 3,3-dimethoxy-propene
    • Acrolein,dimethyl acetal
    • EINECS 227-936-4
    • NSC 84156
    • BRN 1700037
    • AI3-37780
    • NSC84156
    • 1-Propene,3-dimethoxy-
    • 1,1-dimethoxyprop-2-ene
    • 3,3-Dimethoxy-1-propene #
    • SCHEMBL243362
    • Acrolein dimethyl acetal, 98%
    • SCHEMBL8175380
    • WLN: 1OYO1&1U1
    • SCHEMBL21224310
    • DTXSID30209185
    • NSC-84156
    • AKOS015915507
    • LS-13073
    • A2455
    • NS00034355
    • A10988
    • EN300-118949
    • A832731
    • F8889-1433
    • 6044-68-4

  • Applications

    Acrolein dimethyl acetal (CAS 6044-68-4) is commonly used as an aldehyde-protecting group in organic synthesis, shielding the aldehyde functionality and can be deprotected when appropriate. Its vinyl group enables it to act as a vinyl monomer for specialty polymers and coating/ink formulations. It also serves as an intermediate for synthesizing aldehyde-containing compounds and derivatives. In coatings and adhesive formulations, it can function as a reactive component to introduce acetal functionality, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1252.46
    methanol 1639.69
    isopropanol 790.65
    water 28.06
    ethyl acetate 842.72
    n-propanol 893.47
    acetone 726.67
    n-butanol 874.09
    acetonitrile 1153.36
    DMF 644.33
    toluene 336.63
    isobutanol 652.26
    1,4-dioxane 1165.59
    methyl acetate 762.81
    THF 1319.66
    2-butanone 737.03
    n-pentanol 613.67
    sec-butanol 847.89
    n-hexane 286.16
    ethylene glycol 300.94
    NMP 695.68
    cyclohexane 521.74
    DMSO 834.07
    n-butyl acetate 540.78
    n-octanol 237.65
    chloroform 2165.06
    n-propyl acetate 484.04
    acetic acid 1673.7
    dichloromethane 2167.29
    cyclohexanone 862.42
    propylene glycol 248.46
    isopropyl acetate 402.4
    DMAc 577.55
    2-ethoxyethanol 933.4
    isopentanol 693.44
    n-heptane 255.31
    ethyl formate 615.74
    1,2-dichloroethane 1112.09
    n-hexanol 518.34
    2-methoxyethanol 1194.24
    isobutyl acetate 249.25
    tetrachloromethane 898.18
    n-pentyl acetate 293.53
    transcutol 1063.81
    n-heptanol 244.35
    ethylbenzene 202.98
    MIBK 326.73
    2-propoxyethanol 677.39
    tert-butanol 976.91
    MTBE 890.36
    2-butoxyethanol 391.85
    propionic acid 735.87
    o-xylene 250.19
    formic acid 859.38
    diethyl ether 1247.18
    m-xylene 211.87
    p-xylene 278.57
    chlorobenzene 445.77
    dimethyl carbonate 182.61
    n-octane 85.38
    formamide 859.58
    cyclopentanone 752.27
    2-pentanone 599.08
    anisole 381.45
    cyclopentyl methyl ether 791.05
    gamma-butyrolactone 854.83
    1-methoxy-2-propanol 660.9
    pyridine 839.93
    3-pentanone 520.94
    furfural 815.31
    n-dodecane 48.36
    diethylene glycol 514.1
    diisopropyl ether 328.21
    tert-amyl alcohol 946.44
    acetylacetone 425.64
    n-hexadecane 52.51
    acetophenone 303.49
    methyl propionate 504.71
    isopentyl acetate 427.56
    trichloroethylene 1849.13
    n-nonanol 204.46
    cyclohexanol 816.17
    benzyl alcohol 337.38
    2-ethylhexanol 364.2
    isooctanol 201.89
    dipropyl ether 552.0
    1,2-dichlorobenzene 441.62
    ethyl lactate 191.61
    propylene carbonate 465.51
    n-methylformamide 617.3
    2-pentanol 665.64
    n-pentane 331.28
    1-propoxy-2-propanol 469.92
    1-methoxy-2-propyl acetate 341.32
    2-(2-methoxypropoxy) propanol 269.02
    mesitylene 155.86
    ε-caprolactone 737.75
    p-cymene 190.17
    epichlorohydrin 1071.77
    1,1,1-trichloroethane 1240.36
    2-aminoethanol 500.71
    morpholine-4-carbaldehyde 719.95
    sulfolane 800.9
    2,2,4-trimethylpentane 156.39
    2-methyltetrahydrofuran 1349.47
    n-hexyl acetate 350.54
    isooctane 93.57
    2-(2-butoxyethoxy)ethanol 358.76
    sec-butyl acetate 317.43
    tert-butyl acetate 414.26
    decalin 143.22
    glycerin 339.37
    diglyme 761.31
    acrylic acid 640.24
    isopropyl myristate 147.67
    n-butyric acid 976.69
    acetyl acetate 463.0
    di(2-ethylhexyl) phthalate 131.57
    ethyl propionate 419.85
    nitromethane 1311.08
    1,2-diethoxyethane 620.35
    benzonitrile 419.91
    trioctyl phosphate 102.12
    1-bromopropane 917.25
    gamma-valerolactone 857.52
    n-decanol 145.07
    triethyl phosphate 215.94
    4-methyl-2-pentanol 285.81
    propionitrile 776.91
    vinylene carbonate 469.91
    1,1,2-trichlorotrifluoroethane 853.58
    DMS 237.67
    cumene 161.63
    2-octanol 180.73
    2-hexanone 453.33
    octyl acetate 175.49
    limonene 319.69
    1,2-dimethoxyethane 1113.39
    ethyl orthosilicate 237.68
    tributyl phosphate 135.13
    diacetone alcohol 406.47
    N,N-dimethylaniline 255.96
    acrylonitrile 747.26
    aniline 435.71
    1,3-propanediol 698.7
    bromobenzene 466.79
    dibromomethane 1613.07
    1,1,2,2-tetrachloroethane 1292.3
    2-methyl-cyclohexyl acetate 295.91
    tetrabutyl urea 160.24
    diisobutyl methanol 230.81
    2-phenylethanol 290.12
    styrene 258.79
    dioctyl adipate 198.15
    dimethyl sulfate 238.7
    ethyl butyrate 479.28
    methyl lactate 203.33
    butyl lactate 192.63
    diethyl carbonate 321.6
    propanediol butyl ether 231.43
    triethyl orthoformate 338.25
    p-tert-butyltoluene 182.57
    methyl 4-tert-butylbenzoate 249.83
    morpholine 1263.2
    tert-butylamine 774.03
    n-dodecanol 115.94
    dimethoxymethane 591.53
    ethylene carbonate 412.0
    cyrene 278.34
    2-ethoxyethyl acetate 337.95
    2-ethylhexyl acetate 353.05
    1,2,4-trichlorobenzene 488.94
    4-methylpyridine 650.27
    dibutyl ether 363.73
    2,6-dimethyl-4-heptanol 230.81
    DEF 664.52
    dimethyl isosorbide 446.21
    tetrachloroethylene 1186.29
    eugenol 241.21
    triacetin 282.15
    span 80 232.0
    1,4-butanediol 356.26
    1,1-dichloroethane 1160.06
    2-methyl-1-pentanol 539.08
    methyl formate 471.18
    2-methyl-1-butanol 738.15
    n-decane 84.01
    butyronitrile 891.29
    3,7-dimethyl-1-octanol 255.97
    1-chlorooctane 210.3
    1-chlorotetradecane 86.92
    n-nonane 93.87
    undecane 60.09
    tert-butylcyclohexane 136.53
    cyclooctane 177.01
    cyclopentanol 757.81
    tetrahydropyran 1337.37
    tert-amyl methyl ether 746.96
    2,5,8-trioxanonane 455.18
    1-hexene 505.73
    2-isopropoxyethanol 558.9
    2,2,2-trifluoroethanol 575.76
    methyl butyrate 567.56

    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