Tetrahydro-3-methylpyran-2-one

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  • Identifiers

    CAS number
    10603-03-9

    Molecular formula
    C6H10O2

    SMILES
    CC1CCCOC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Coconut 52.14%
    Coumarinic 51.92%
    Fruity 43.14%
    Caramellic 40.53%
    Sweet 40.47%
    Lactonic 39.35%
    Tobacco 37.45%
    Nutty 35.85%
    Creamy 35.29%
    Buttery 34.77%

     

    Flavor
    Sweet 53.86%
    Fruity 44.26%
    Caramel 40.97%
    Coumarin 34.95%
    Herbal 34.34%
    Minty 33.93%
    Coconut 33.24%
    Tonka 31.08%
    Tobacco 30.37%
    Buttery 28.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.4 (neutral)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point

    • 49.33 ˚C est.

  • Synonyms

    • TETRAHYDRO-3-METHYLPYRAN-2-ONE
    • RefChem:897121
    • 888-564-1
    • 10603-03-9
    • 3-methyloxan-2-one
    • 3-methyltetrahydro-2h-pyran-2-one
    • 2-Methyl-5-hydroxypentanoic acid lactone
    • MFCD00506236
    • 2H-Pyran-2-one, tetrahydro-3-methyl-
    • Valeric acid, 5-hydroxy-3-methyl-, delta-lactone
    • 2-methyl-5-pentanolide
    • 2-methyl-delta-valerolactone
    • 3-methyltetrahydropyran-2-one
    • SCHEMBL577023
    • alpha-methyl-delta-valerolactone
    • SCHEMBL4229733
    • SCHEMBL7741531
    • DTXSID50909872
    • KAA60303
    • AB4082
    • AKOS006271391
    • AS-44745
    • DA-20136
    • SY243660
    • CS-0440412
    • EN300-154813
    • 10603-03-9

  • Applications

    Tetrahydro-3-methylpyran-2-one (CAS 10603-03-9) may be used as a fragrance ingredient and flavor precursor in fragrance and flavor applications; it can serve as an intermediate in organic synthesis; it could be employed as a monomer or co-monomer for specialty polyesters in the polymer/plastics sector; it may function as a processing aid or solvent in industrial manufacturing formulations; it may be used in cosmetics and personal care as a fragrance component; and it could be evaluated for use in coatings or inks as a solvent or odorant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 569.24
    methanol 977.3
    isopropanol 283.05
    water 10.4
    ethyl acetate 274.81
    n-propanol 292.5
    acetone 415.34
    n-butanol 263.21
    acetonitrile 475.18
    DMF 388.7
    toluene 122.22
    isobutanol 210.7
    1,4-dioxane 477.14
    methyl acetate 278.27
    THF 567.32
    2-butanone 275.82
    n-pentanol 247.41
    sec-butanol 205.72
    n-hexane 18.38
    ethylene glycol 115.96
    NMP 397.06
    cyclohexane 17.0
    DMSO 589.14
    n-butyl acetate 270.25
    n-octanol 104.0
    chloroform 1125.13
    n-propyl acetate 218.1
    acetic acid 984.35
    dichloromethane 1027.7
    cyclohexanone 361.46
    propylene glycol 96.91
    isopropyl acetate 163.71
    DMAc 280.05
    2-ethoxyethanol 376.34
    isopentanol 252.21
    n-heptane 11.06
    ethyl formate 280.89
    1,2-dichloroethane 439.97
    n-hexanol 193.43
    2-methoxyethanol 497.69
    isobutyl acetate 133.86
    tetrachloromethane 147.88
    n-pentyl acetate 189.19
    transcutol 1619.19
    n-heptanol 104.66
    ethylbenzene 64.16
    MIBK 165.24
    2-propoxyethanol 348.19
    tert-butanol 322.05
    MTBE 205.89
    2-butoxyethanol 239.66
    propionic acid 369.21
    o-xylene 85.29
    formic acid 552.31
    diethyl ether 200.93
    m-xylene 90.63
    p-xylene 104.34
    chlorobenzene 268.46
    dimethyl carbonate 77.81
    n-octane 6.37
    formamide 560.96
    cyclopentanone 462.06
    2-pentanone 223.25
    anisole 187.79
    cyclopentyl methyl ether 200.16
    gamma-butyrolactone 653.09
    1-methoxy-2-propanol 279.33
    pyridine 467.15
    3-pentanone 138.66
    furfural 689.5
    n-dodecane 6.61
    diethylene glycol 287.84
    diisopropyl ether 63.62
    tert-amyl alcohol 240.01
    acetylacetone 289.3
    n-hexadecane 7.5
    acetophenone 194.91
    methyl propionate 169.94
    isopentyl acetate 225.21
    trichloroethylene 916.29
    n-nonanol 88.6
    cyclohexanol 163.6
    benzyl alcohol 196.47
    2-ethylhexanol 103.25
    isooctanol 90.25
    dipropyl ether 88.58
    1,2-dichlorobenzene 253.49
    ethyl lactate 93.62
    propylene carbonate 326.6
    n-methylformamide 394.7
    2-pentanol 152.11
    n-pentane 17.34
    1-propoxy-2-propanol 209.55
    1-methoxy-2-propyl acetate 211.16
    2-(2-methoxypropoxy) propanol 237.26
    mesitylene 62.26
    ε-caprolactone 369.88
    p-cymene 53.72
    epichlorohydrin 618.75
    1,1,1-trichloroethane 388.7
    2-aminoethanol 233.18
    morpholine-4-carbaldehyde 491.33
    sulfolane 587.62
    2,2,4-trimethylpentane 15.03
    2-methyltetrahydrofuran 361.35
    n-hexyl acetate 241.33
    isooctane 13.69
    2-(2-butoxyethoxy)ethanol 361.9
    sec-butyl acetate 133.61
    tert-butyl acetate 186.67
    decalin 15.88
    glycerin 147.49
    diglyme 608.14
    acrylic acid 367.07
    isopropyl myristate 77.87
    n-butyric acid 468.37
    acetyl acetate 225.86
    di(2-ethylhexyl) phthalate 99.63
    ethyl propionate 138.34
    nitromethane 1077.94
    1,2-diethoxyethane 354.81
    benzonitrile 357.25
    trioctyl phosphate 64.17
    1-bromopropane 199.52
    gamma-valerolactone 592.54
    n-decanol 63.25
    triethyl phosphate 77.8
    4-methyl-2-pentanol 108.14
    propionitrile 286.69
    vinylene carbonate 340.23
    1,1,2-trichlorotrifluoroethane 410.46
    DMS 183.25
    cumene 55.48
    2-octanol 72.01
    2-hexanone 205.19
    octyl acetate 104.27
    limonene 67.51
    1,2-dimethoxyethane 436.86
    ethyl orthosilicate 76.1
    tributyl phosphate 93.99
    diacetone alcohol 214.53
    N,N-dimethylaniline 117.58
    acrylonitrile 427.4
    aniline 212.23
    1,3-propanediol 305.01
    bromobenzene 267.36
    dibromomethane 574.78
    1,1,2,2-tetrachloroethane 607.23
    2-methyl-cyclohexyl acetate 131.46
    tetrabutyl urea 102.06
    diisobutyl methanol 70.67
    2-phenylethanol 183.98
    styrene 97.61
    dioctyl adipate 124.55
    dimethyl sulfate 130.02
    ethyl butyrate 159.49
    methyl lactate 94.07
    butyl lactate 139.3
    diethyl carbonate 111.91
    propanediol butyl ether 234.44
    triethyl orthoformate 105.77
    p-tert-butyltoluene 50.52
    methyl 4-tert-butylbenzoate 165.72
    morpholine 465.53
    tert-butylamine 187.38
    n-dodecanol 46.05
    dimethoxymethane 235.98
    ethylene carbonate 251.94
    cyrene 184.91
    2-ethoxyethyl acetate 287.78
    2-ethylhexyl acetate 164.37
    1,2,4-trichlorobenzene 295.36
    4-methylpyridine 415.71
    dibutyl ether 115.7
    2,6-dimethyl-4-heptanol 70.67
    DEF 228.18
    dimethyl isosorbide 346.25
    tetrachloroethylene 472.32
    eugenol 188.71
    triacetin 224.76
    span 80 194.61
    1,4-butanediol 159.87
    1,1-dichloroethane 440.72
    2-methyl-1-pentanol 223.53
    methyl formate 279.06
    2-methyl-1-butanol 213.89
    n-decane 10.5
    butyronitrile 308.3
    3,7-dimethyl-1-octanol 113.42
    1-chlorooctane 56.64
    1-chlorotetradecane 22.18
    n-nonane 9.79
    undecane 8.04
    tert-butylcyclohexane 18.05
    cyclooctane 7.22
    cyclopentanol 204.0
    tetrahydropyran 279.15
    tert-amyl methyl ether 145.24
    2,5,8-trioxanonane 402.66
    1-hexene 80.75
    2-isopropoxyethanol 239.57
    2,2,2-trifluoroethanol 266.41
    methyl butyrate 212.72

    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