2-Butene, 1,1-dimethoxy-

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  • Identifiers

    CAS number
    21962-24-3

    Molecular formula
    C6H12O2

    SMILES
    C/C=C/C(OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.87%
    Ethereal 68.1%
    Green 61.55%
    Pungent 48.87%
    Sharp 45.23%
    Fresh 44.0%
    Alcoholic 37.82%
    Apple 37.07%
    Herbal 33.25%
    Cognac 31.13%

     

    Flavor
    Fruity 62.81%
    Green 50.0%
    Ethereal 36.38%
    Vegetable 31.58%
    Nutty 30.97%
    Bitter 30.92%
    Earthy 30.35%
    Pungent 29.97%
    Tropical 29.96%
    Musty 26.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.36 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    117°C

    Flash point

    • 11.98 ˚C est.

  • Synonyms

    • 2-Butenal dimethyl acetal
    • Propylene formal
    • 2-BUTENE, 1,1-DIMETHOXY-
    • Crotonaldehyde dimethyl acetal
    • 21962-24-3
    • EINECS 244-683-5
    • BRN 1720659
    • 3-01-00-02979 (Beilstein Handbook Reference)
    • DTXSID90885186
    • RefChem:467464
    • Crotonaldehyde, dimethyl acetal (6CI,7CI,8CI)
    • DTXCID601024580
    • (E)-1,1-dimethoxybut-2-ene
    • 1,1-Dimethoxybut-2-ene
    • Crotonaldehyde, dimethyl acetal
    • 18318-79-1
    • Trans-2-butenaldimethylacetal
    • SCHEMBL2992678
    • (2E)-1,1-Dimethoxy-2-butene #
    • 21962-24-3

  • Applications

    For 2-Butene, 1,1-dimethoxy- (CAS 21962-24-3), practical applications are concentrated in a few areas: as an organic synthesis intermediate in industrial manufacturing, notably for acetal formation and carbonyl protection; as a reactive monomer or comonomer in specialty polymers containing acetal functionality; as a reactive diluent or monomer in coatings and inks; as a solvent or co-solvent in formulation and processing under controlled conditions; and as a potential synthetic intermediate in fragrance and personal care compound development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1419.35
    methanol 1472.0
    isopropanol 1315.98
    water 13.06
    ethyl acetate 1089.32
    n-propanol 1299.05
    acetone 1359.49
    n-butanol 1203.36
    acetonitrile 1685.46
    DMF 1186.41
    toluene 511.59
    isobutanol 1072.02
    1,4-dioxane 1791.83
    methyl acetate 1123.69
    THF 1775.34
    2-butanone 1148.09
    n-pentanol 784.48
    sec-butanol 1457.45
    n-hexane 421.04
    ethylene glycol 428.87
    NMP 1182.51
    cyclohexane 726.07
    DMSO 1272.3
    n-butyl acetate 775.95
    n-octanol 472.27
    chloroform 4452.01
    n-propyl acetate 744.19
    acetic acid 2077.33
    dichloromethane 3742.28
    cyclohexanone 1508.4
    propylene glycol 511.56
    isopropyl acetate 588.54
    DMAc 891.61
    2-ethoxyethanol 1006.89
    isopentanol 899.44
    n-heptane 307.19
    ethyl formate 770.21
    1,2-dichloroethane 1844.5
    n-hexanol 758.5
    2-methoxyethanol 1380.74
    isobutyl acetate 418.99
    tetrachloromethane 1421.17
    n-pentyl acetate 519.27
    transcutol 1277.89
    n-heptanol 412.98
    ethylbenzene 318.01
    MIBK 487.69
    2-propoxyethanol 892.64
    tert-butanol 1624.38
    MTBE 1280.44
    2-butoxyethanol 537.85
    propionic acid 1268.82
    o-xylene 398.98
    formic acid 618.64
    diethyl ether 1363.61
    m-xylene 350.45
    p-xylene 445.2
    chlorobenzene 815.04
    dimethyl carbonate 296.56
    n-octane 121.48
    formamide 627.99
    cyclopentanone 1520.1
    2-pentanone 894.02
    anisole 535.58
    cyclopentyl methyl ether 1126.45
    gamma-butyrolactone 1645.34
    1-methoxy-2-propanol 982.64
    pyridine 1334.59
    3-pentanone 744.29
    furfural 1196.69
    n-dodecane 84.12
    diethylene glycol 650.74
    diisopropyl ether 408.32
    tert-amyl alcohol 1509.57
    acetylacetone 703.59
    n-hexadecane 92.29
    acetophenone 486.72
    methyl propionate 744.19
    isopentyl acetate 594.62
    trichloroethylene 3395.43
    n-nonanol 380.56
    cyclohexanol 1322.95
    benzyl alcohol 497.37
    2-ethylhexanol 510.0
    isooctanol 349.34
    dipropyl ether 645.81
    1,2-dichlorobenzene 769.59
    ethyl lactate 336.34
    propylene carbonate 938.89
    n-methylformamide 824.63
    2-pentanol 995.51
    n-pentane 413.38
    1-propoxy-2-propanol 701.7
    1-methoxy-2-propyl acetate 484.23
    2-(2-methoxypropoxy) propanol 384.09
    mesitylene 267.93
    ε-caprolactone 1230.8
    p-cymene 268.77
    epichlorohydrin 1657.99
    1,1,1-trichloroethane 2358.67
    2-aminoethanol 700.6
    morpholine-4-carbaldehyde 1065.9
    sulfolane 1755.24
    2,2,4-trimethylpentane 217.46
    2-methyltetrahydrofuran 1823.56
    n-hexyl acetate 708.12
    isooctane 138.69
    2-(2-butoxyethoxy)ethanol 520.72
    sec-butyl acetate 458.43
    tert-butyl acetate 618.96
    decalin 225.37
    glycerin 611.79
    diglyme 1015.45
    acrylic acid 1087.45
    isopropyl myristate 261.04
    n-butyric acid 1419.76
    acetyl acetate 653.27
    di(2-ethylhexyl) phthalate 217.84
    ethyl propionate 596.41
    nitromethane 1933.57
    1,2-diethoxyethane 674.43
    benzonitrile 769.99
    trioctyl phosphate 192.76
    1-bromopropane 1410.55
    gamma-valerolactone 1309.16
    n-decanol 264.15
    triethyl phosphate 283.2
    4-methyl-2-pentanol 416.38
    propionitrile 1251.07
    vinylene carbonate 887.39
    1,1,2-trichlorotrifluoroethane 1406.81
    DMS 400.86
    cumene 248.32
    2-octanol 364.36
    2-hexanone 658.18
    octyl acetate 330.69
    limonene 427.8
    1,2-dimethoxyethane 1350.58
    ethyl orthosilicate 287.24
    tributyl phosphate 232.54
    diacetone alcohol 642.27
    N,N-dimethylaniline 403.43
    acrylonitrile 1276.09
    aniline 672.33
    1,3-propanediol 875.65
    bromobenzene 900.95
    dibromomethane 2739.27
    1,1,2,2-tetrachloroethane 2680.44
    2-methyl-cyclohexyl acetate 425.07
    tetrabutyl urea 265.39
    diisobutyl methanol 311.1
    2-phenylethanol 408.35
    styrene 400.76
    dioctyl adipate 328.15
    dimethyl sulfate 475.74
    ethyl butyrate 604.45
    methyl lactate 389.13
    butyl lactate 362.49
    diethyl carbonate 417.06
    propanediol butyl ether 468.59
    triethyl orthoformate 423.94
    p-tert-butyltoluene 266.0
    methyl 4-tert-butylbenzoate 435.23
    morpholine 1862.37
    tert-butylamine 1209.71
    n-dodecanol 207.12
    dimethoxymethane 762.29
    ethylene carbonate 775.11
    cyrene 419.65
    2-ethoxyethyl acetate 499.36
    2-ethylhexyl acetate 493.83
    1,2,4-trichlorobenzene 890.21
    4-methylpyridine 1129.99
    dibutyl ether 545.51
    2,6-dimethyl-4-heptanol 311.1
    DEF 977.11
    dimethyl isosorbide 602.63
    tetrachloroethylene 2019.46
    eugenol 398.17
    triacetin 496.88
    span 80 392.27
    1,4-butanediol 463.79
    1,1-dichloroethane 2242.57
    2-methyl-1-pentanol 663.56
    methyl formate 690.18
    2-methyl-1-butanol 1032.61
    n-decane 139.32
    butyronitrile 1293.61
    3,7-dimethyl-1-octanol 404.41
    1-chlorooctane 417.51
    1-chlorotetradecane 161.1
    n-nonane 158.94
    undecane 101.42
    tert-butylcyclohexane 220.58
    cyclooctane 231.44
    cyclopentanol 1361.21
    tetrahydropyran 1947.52
    tert-amyl methyl ether 922.04
    2,5,8-trioxanonane 606.17
    1-hexene 754.03
    2-isopropoxyethanol 679.19
    2,2,2-trifluoroethanol 681.94
    methyl butyrate 864.54

    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