3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde

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  • Identifiers

    CAS number
    1920-21-4

    Molecular formula
    C8H12O2

    SMILES
    CC1=COC(CC1)(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 52.47%
    Mint 46.17%
    Sweet 39.84%
    Green 39.57%
    Nutty 37.45%
    Spicy 34.6%
    Hay 32.39%
    Caramellic 32.02%
    Floral 31.33%
    Fresh 30.51%

     

    Flavor
    Fruity 81.65%
    Sweet 38.13%
    Caramel 34.03%
    Minty 30.96%
    Berry 28.78%
    Tobacco 27.46%
    Woody 26.03%
    Nutty 25.62%
    Herbal 25.55%
    Floral 24.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.73 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 68.65 ˚C est.

  • Synonyms

    • 1920-21-4
    • 3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde
    • DTXSID401031236
    • RefChem:1065745
    • DTXCID801516248
    • 217-647-1
    • Methacrolein dimer
    • Methacrylaldehyde dimer
    • 2,5-dimethyl-3,4-dihydropyran-2-carbaldehyde
    • 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-2,5-dimethyl-
    • 2,3-Dihydro-2,5-dimethyl-2-formyl-1,4-pyran
    • 1,4-Pyran, 2,3-dihydro-2,5-dimethyl-2-formyl-
    • 3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carboxaldehyde
    • 2,5-Dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde
    • EINECS 217-647-1
    • NSC 44984
    • BRN 0114546
    • 5-17-09-00170 (Beilstein Handbook Reference)
    • SCHEMBL6142125
    • NSC44984
    • 2,5-dimethyl-2-formyl-1,4-pyran
    • WLN: T6O BUTJ C1 FVH F1
    • NSC-44984
    • 1, 2,3-dihydro-2,5-dimethyl-2-formyl-
    • NS00045716
    • 2,5-dimethyl-3,4-dihydro-pyran-2-carbaldehyde
    • 2H-Pyran-2-carboxaldehyde,4-dihydro-2,5-dimethyl-
    • 2,3-Dihydro-2,5-dimethyl-2H-pyran-2-carboxaldehyde
    • 2,5-Dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde #
    • 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-2,5-dimethylmethacrolein dimer
    • 1920-21-4

  • Applications

    3,4-Dihydro-2,5-dimethyl-2H-pyran-2-carbaldehyde (CAS 1920-21-4) is primarily used as an intermediate in organic synthesis and as an aroma/fragrance ingredient. In the perfumery and flavor industries, it acts as a fragrance component or precursor for aroma compounds used in perfumes, flavorings, and beverages. In cosmetics and personal care, it may be employed as a fragrance ingredient. In household cleaning products, it serves as an odorant to impart or refine scents in detergents and cleaners. In industrial manufacturing, it may function as a building block for the synthesis of specialty aroma chemicals and related intermediates, including potential use in polymer or coating formulations where aroma delivery is relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 406.32
    methanol 362.29
    isopropanol 344.87
    water 6.29
    ethyl acetate 566.7
    n-propanol 340.07
    acetone 665.32
    n-butanol 273.93
    acetonitrile 703.19
    DMF 624.75
    toluene 162.82
    isobutanol 267.32
    1,4-dioxane 539.25
    methyl acetate 782.83
    THF 579.54
    2-butanone 683.24
    n-pentanol 184.11
    sec-butanol 355.61
    n-hexane 14.46
    ethylene glycol 135.21
    NMP 417.47
    cyclohexane 23.21
    DMSO 538.69
    n-butyl acetate 271.16
    n-octanol 126.81
    chloroform 1253.18
    n-propyl acetate 295.6
    acetic acid 483.62
    dichloromethane 1089.15
    cyclohexanone 498.39
    propylene glycol 218.19
    isopropyl acetate 291.44
    DMAc 606.13
    2-ethoxyethanol 336.13
    isopentanol 262.92
    n-heptane 14.17
    ethyl formate 395.66
    1,2-dichloroethane 520.99
    n-hexanol 198.6
    2-methoxyethanol 525.68
    isobutyl acetate 186.85
    tetrachloromethane 151.63
    n-pentyl acetate 165.04
    transcutol 966.38
    n-heptanol 118.62
    ethylbenzene 114.57
    MIBK 244.56
    2-propoxyethanol 353.77
    tert-butanol 456.3
    MTBE 332.99
    2-butoxyethanol 229.81
    propionic acid 441.4
    o-xylene 147.0
    formic acid 221.83
    diethyl ether 230.64
    m-xylene 142.84
    p-xylene 183.57
    chlorobenzene 284.89
    dimethyl carbonate 200.11
    n-octane 9.59
    formamide 358.84
    cyclopentanone 630.92
    2-pentanone 368.63
    anisole 318.81
    cyclopentyl methyl ether 243.3
    gamma-butyrolactone 725.81
    1-methoxy-2-propanol 427.69
    pyridine 480.63
    3-pentanone 297.8
    furfural 745.63
    n-dodecane 11.88
    diethylene glycol 306.62
    diisopropyl ether 82.96
    tert-amyl alcohol 387.6
    acetylacetone 497.3
    n-hexadecane 13.03
    acetophenone 319.36
    methyl propionate 402.7
    isopentyl acetate 247.1
    trichloroethylene 1258.55
    n-nonanol 110.31
    cyclohexanol 210.68
    benzyl alcohol 248.46
    2-ethylhexanol 130.83
    isooctanol 104.91
    dipropyl ether 103.68
    1,2-dichlorobenzene 284.72
    ethyl lactate 175.87
    propylene carbonate 455.33
    n-methylformamide 399.19
    2-pentanol 201.29
    n-pentane 15.16
    1-propoxy-2-propanol 244.43
    1-methoxy-2-propyl acetate 284.28
    2-(2-methoxypropoxy) propanol 280.42
    mesitylene 93.64
    ε-caprolactone 439.41
    p-cymene 80.86
    epichlorohydrin 783.53
    1,1,1-trichloroethane 653.18
    2-aminoethanol 256.5
    morpholine-4-carbaldehyde 565.33
    sulfolane 604.91
    2,2,4-trimethylpentane 21.24
    2-methyltetrahydrofuran 471.54
    n-hexyl acetate 267.35
    isooctane 16.89
    2-(2-butoxyethoxy)ethanol 343.15
    sec-butyl acetate 215.44
    tert-butyl acetate 299.21
    decalin 24.54
    glycerin 270.4
    diglyme 574.59
    acrylic acid 389.97
    isopropyl myristate 111.51
    n-butyric acid 441.19
    acetyl acetate 363.91
    di(2-ethylhexyl) phthalate 115.88
    ethyl propionate 262.36
    nitromethane 996.48
    1,2-diethoxyethane 267.84
    benzonitrile 333.66
    trioctyl phosphate 80.21
    1-bromopropane 269.11
    gamma-valerolactone 734.46
    n-decanol 88.04
    triethyl phosphate 112.95
    4-methyl-2-pentanol 140.28
    propionitrile 432.62
    vinylene carbonate 442.05
    1,1,2-trichlorotrifluoroethane 550.46
    DMS 272.11
    cumene 91.4
    2-octanol 90.16
    2-hexanone 287.81
    octyl acetate 140.39
    limonene 103.87
    1,2-dimethoxyethane 471.31
    ethyl orthosilicate 103.3
    tributyl phosphate 102.76
    diacetone alcohol 360.74
    N,N-dimethylaniline 191.71
    acrylonitrile 581.29
    aniline 260.9
    1,3-propanediol 311.18
    bromobenzene 287.92
    dibromomethane 623.11
    1,1,2,2-tetrachloroethane 822.48
    2-methyl-cyclohexyl acetate 174.8
    tetrabutyl urea 120.06
    diisobutyl methanol 91.74
    2-phenylethanol 218.94
    styrene 143.2
    dioctyl adipate 161.1
    dimethyl sulfate 292.67
    ethyl butyrate 214.32
    methyl lactate 230.83
    butyl lactate 154.85
    diethyl carbonate 170.13
    propanediol butyl ether 248.86
    triethyl orthoformate 136.87
    p-tert-butyltoluene 78.08
    methyl 4-tert-butylbenzoate 243.91
    morpholine 519.34
    tert-butylamine 239.31
    n-dodecanol 70.46
    dimethoxymethane 323.35
    ethylene carbonate 327.09
    cyrene 246.72
    2-ethoxyethyl acetate 264.07
    2-ethylhexyl acetate 183.44
    1,2,4-trichlorobenzene 347.17
    4-methylpyridine 454.63
    dibutyl ether 124.61
    2,6-dimethyl-4-heptanol 91.74
    DEF 383.01
    dimethyl isosorbide 387.05
    tetrachloroethylene 505.71
    eugenol 239.34
    triacetin 309.2
    span 80 220.38
    1,4-butanediol 141.83
    1,1-dichloroethane 709.36
    2-methyl-1-pentanol 195.63
    methyl formate 391.83
    2-methyl-1-butanol 263.25
    n-decane 17.07
    butyronitrile 349.81
    3,7-dimethyl-1-octanol 149.99
    1-chlorooctane 82.1
    1-chlorotetradecane 37.61
    n-nonane 15.32
    undecane 13.95
    tert-butylcyclohexane 28.06
    cyclooctane 9.68
    cyclopentanol 246.44
    tetrahydropyran 358.54
    tert-amyl methyl ether 235.97
    2,5,8-trioxanonane 407.81
    1-hexene 76.11
    2-isopropoxyethanol 270.59
    2,2,2-trifluoroethanol 239.74
    methyl butyrate 361.6

    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