methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate

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  • Identifiers

    CAS number
    24588-61-2

    Molecular formula
    C9H14O3

    SMILES
    CC1=C(COC(C1)C(=O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 62.9%
    Caramellic 59.24%
    Sweet 48.39%
    Nutty 39.42%
    Mint 35.4%
    Herbal 33.14%
    Buttery 30.52%
    Roasted 30.45%
    Burnt 30.17%
    Floral 27.36%

     

    Flavor
    Fruity 77.21%
    Caramel 41.16%
    Sweet 41.01%
    Floral 34.37%
    Berry 34.27%
    Spicy 30.99%
    Tropical 29.29%
    Tobacco 27.87%
    Herbal 27.47%
    Woody 26.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.09 (neutral)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 88.78 ˚C est.

  • Synonyms

    • 24588-61-2
    • methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
    • DTXSID60947462
    • 2H-Pyran-2-carboxylic acid, 3,6-dihydro-4,5-dimethyl-, methyl ester
    • 4,5-Dimethyl-3,6-dihydro-2H-pyran-2-carboxylic acid methyl ester
    • 24588-61-2

  • Applications

    methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate (CAS 24588-61-2) is primarily used as an intermediate and building block in organic synthesis; in the fragrance and flavor sector it is commonly evaluated as a precursor to gamma-lactone aroma compounds and other aroma chemical scaffolds; in cosmetics and personal care it serves as a synthetic precursor for fragrance ingredients; in coatings, inks and specialty polymers it can function as a monomer or linked precursor for lactone-containing polymers and as a potential plasticizer component; in pharmaceutical R&D it may be used as a synthetic intermediate for more complex molecules. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 149.14
    methanol 183.05
    isopropanol 114.39
    water 8.66
    ethyl acetate 132.22
    n-propanol 117.18
    acetone 93.13
    n-butanol 94.03
    acetonitrile 140.22
    DMF 147.9
    toluene 54.52
    isobutanol 84.44
    1,4-dioxane 373.14
    methyl acetate 144.72
    THF 169.98
    2-butanone 88.99
    n-pentanol 55.0
    sec-butanol 94.3
    n-hexane 1.28
    ethylene glycol 70.18
    NMP 95.03
    cyclohexane 7.88
    DMSO 123.31
    n-butyl acetate 51.81
    n-octanol 32.89
    chloroform 493.37
    n-propyl acetate 55.82
    acetic acid 302.01
    dichloromethane 401.55
    cyclohexanone 141.75
    propylene glycol 58.2
    isopropyl acetate 59.28
    DMAc 150.53
    2-ethoxyethanol 155.74
    isopentanol 82.11
    n-heptane 2.06
    ethyl formate 122.49
    1,2-dichloroethane 180.14
    n-hexanol 53.87
    2-methoxyethanol 286.74
    isobutyl acetate 33.45
    tetrachloromethane 66.16
    n-pentyl acetate 37.53
    transcutol 335.68
    n-heptanol 38.82
    ethylbenzene 34.75
    MIBK 43.76
    2-propoxyethanol 113.55
    tert-butanol 193.71
    MTBE 72.39
    2-butoxyethanol 88.95
    propionic acid 137.46
    o-xylene 58.83
    formic acid 233.82
    diethyl ether 58.89
    m-xylene 44.72
    p-xylene 58.56
    chlorobenzene 101.98
    dimethyl carbonate 41.83
    n-octane 1.64
    formamide 332.26
    cyclopentanone 127.93
    2-pentanone 54.79
    anisole 89.97
    cyclopentyl methyl ether 57.53
    gamma-butyrolactone 190.24
    1-methoxy-2-propanol 145.36
    pyridine 223.77
    3-pentanone 47.27
    furfural 263.22
    n-dodecane 2.07
    diethylene glycol 129.37
    diisopropyl ether 15.15
    tert-amyl alcohol 121.33
    acetylacetone 101.15
    n-hexadecane 2.42
    acetophenone 93.35
    methyl propionate 76.57
    isopentyl acetate 54.38
    trichloroethylene 442.16
    n-nonanol 31.84
    cyclohexanol 96.32
    benzyl alcohol 98.76
    2-ethylhexanol 36.76
    isooctanol 34.18
    dipropyl ether 19.6
    1,2-dichlorobenzene 112.75
    ethyl lactate 40.94
    propylene carbonate 115.47
    n-methylformamide 135.52
    2-pentanol 51.42
    n-pentane 2.18
    1-propoxy-2-propanol 64.03
    1-methoxy-2-propyl acetate 62.81
    2-(2-methoxypropoxy) propanol 94.08
    mesitylene 28.63
    ε-caprolactone 139.05
    p-cymene 26.93
    epichlorohydrin 251.14
    1,1,1-trichloroethane 196.32
    2-aminoethanol 124.83
    morpholine-4-carbaldehyde 214.57
    sulfolane 150.72
    2,2,4-trimethylpentane 3.59
    2-methyltetrahydrofuran 120.47
    n-hexyl acetate 56.94
    isooctane 2.47
    2-(2-butoxyethoxy)ethanol 123.64
    sec-butyl acetate 39.3
    tert-butyl acetate 66.09
    decalin 5.48
    glycerin 107.44
    diglyme 231.09
    acrylic acid 145.26
    isopropyl myristate 24.0
    n-butyric acid 162.7
    acetyl acetate 105.85
    di(2-ethylhexyl) phthalate 36.39
    ethyl propionate 50.2
    nitromethane 386.22
    1,2-diethoxyethane 68.76
    benzonitrile 110.93
    trioctyl phosphate 21.09
    1-bromopropane 52.76
    gamma-valerolactone 237.65
    n-decanol 23.19
    triethyl phosphate 34.02
    4-methyl-2-pentanol 32.67
    propionitrile 91.62
    vinylene carbonate 147.61
    1,1,2-trichlorotrifluoroethane 220.65
    DMS 61.52
    cumene 29.54
    2-octanol 23.43
    2-hexanone 41.74
    octyl acetate 31.79
    limonene 31.16
    1,2-dimethoxyethane 188.53
    ethyl orthosilicate 32.43
    tributyl phosphate 24.83
    diacetone alcohol 95.02
    N,N-dimethylaniline 60.89
    acrylonitrile 147.19
    aniline 114.8
    1,3-propanediol 183.07
    bromobenzene 94.27
    dibromomethane 192.86
    1,1,2,2-tetrachloroethane 330.53
    2-methyl-cyclohexyl acetate 54.22
    tetrabutyl urea 32.47
    diisobutyl methanol 24.07
    2-phenylethanol 82.8
    styrene 41.12
    dioctyl adipate 41.46
    dimethyl sulfate 66.07
    ethyl butyrate 47.33
    methyl lactate 53.9
    butyl lactate 38.14
    diethyl carbonate 43.06
    propanediol butyl ether 69.32
    triethyl orthoformate 38.88
    p-tert-butyltoluene 24.99
    methyl 4-tert-butylbenzoate 79.9
    morpholine 336.19
    tert-butylamine 91.31
    n-dodecanol 17.21
    dimethoxymethane 102.04
    ethylene carbonate 111.65
    cyrene 92.06
    2-ethoxyethyl acetate 69.5
    2-ethylhexyl acetate 41.72
    1,2,4-trichlorobenzene 137.18
    4-methylpyridine 166.25
    dibutyl ether 24.16
    2,6-dimethyl-4-heptanol 24.07
    DEF 78.73
    dimethyl isosorbide 134.31
    tetrachloroethylene 253.88
    eugenol 90.41
    triacetin 73.94
    span 80 68.34
    1,4-butanediol 55.84
    1,1-dichloroethane 178.9
    2-methyl-1-pentanol 58.5
    methyl formate 119.61
    2-methyl-1-butanol 74.68
    n-decane 3.17
    butyronitrile 84.35
    3,7-dimethyl-1-octanol 35.16
    1-chlorooctane 16.33
    1-chlorotetradecane 7.27
    n-nonane 2.53
    undecane 2.52
    tert-butylcyclohexane 4.97
    cyclooctane 2.46
    cyclopentanol 87.34
    tetrahydropyran 151.01
    tert-amyl methyl ether 48.75
    2,5,8-trioxanonane 165.83
    1-hexene 7.71
    2-isopropoxyethanol 91.49
    2,2,2-trifluoroethanol 151.95
    methyl butyrate 72.57

    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