beta-Methyl-delta-valerolactone

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  • Identifiers

    CAS number
    1121-84-2

    Molecular formula
    C6H10O2

    SMILES
    CC1CCOC(=O)C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 72.25%
    Coconut 69.62%
    Coumarinic 67.95%
    Herbal 64.1%
    Fruity 58.74%
    Creamy 51.63%
    Lactonic 48.07%
    Nutty 47.49%
    Mint 45.9%
    Tobacco 45.2%

     

    Flavor
    Sweet 88.27%
    Herbal 70.08%
    Coconut 57.62%
    Tobacco 56.04%
    Tonka 51.82%
    Coumarin 49.21%
    Caramel 43.27%
    Minty 36.19%
    Woody 35.85%
    Creamy 34.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.2 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 52.8 ˚C est.

  • Synonyms

    • Tetrahydro-4-methyl-2H-pyran-2-one
    • EINECS 214-338-3
    • DTXSID10862555
    • NSC 32358
    • RefChem:567909
    • DTXCID00811299
    • 214-338-3
    • beta-Methyl-delta-valerolactone
    • 4-Methyltetrahydro-2H-pyran-2-one
    • 1121-84-2
    • 4-methyloxan-2-one
    • 2H-Pyran-2-one, tetrahydro-4-methyl-
    • MFCD00129064
    • 4-methyltetrahydropyran-2-one
    • 4-METHYLTETRAHYDRO-2-PYRONE
    • NSC32358
    • SCHEMBL27575
    • SCHEMBL72507
    • CHEMBL457027
    • SCHEMBL5354783
    • 4-methyl-tetrahydro-pyran-2-one
    • NSC-32358
    • 4-Methyltetrahydro-2H-pyran-2-one #
    • AKOS016012056
    • SY128720
    • 4-methyl-3,4,5,6-tetrahydro-2-pyranone
    • CS-0007022
    • NS00045219
    • EN300-111983
    • F87764
    • 1121-84-2

  • Applications

    beta-Methyl-delta-valerolactone (CAS 1121-84-2) is used primarily as a solvent and as a chemical intermediate in industrial synthesis. As a lactone, it can participate in polymerization to form polyesters, serving as a monomer or comonomer in specialty polymers. It may function as a processing solvent or additive in coatings, inks, and cleaning formulations. In perfumery and fragrances, it may be employed as an odorant or fragrance component. It is also evaluated as an intermediate for routes to other specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 258.05
    methanol 353.81
    isopropanol 182.79
    water 7.07
    ethyl acetate 113.49
    n-propanol 164.8
    acetone 237.46
    n-butanol 132.11
    acetonitrile 183.18
    DMF 264.15
    toluene 24.23
    isobutanol 107.87
    1,4-dioxane 277.88
    methyl acetate 129.45
    THF 320.9
    2-butanone 128.72
    n-pentanol 86.82
    sec-butanol 126.04
    n-hexane 4.63
    ethylene glycol 99.98
    NMP 273.09
    cyclohexane 7.02
    DMSO 345.7
    n-butyl acetate 83.52
    n-octanol 62.66
    chloroform 562.07
    n-propyl acetate 63.83
    acetic acid 787.99
    dichloromethane 354.01
    cyclohexanone 188.56
    propylene glycol 147.01
    isopropyl acetate 62.63
    DMAc 168.76
    2-ethoxyethanol 124.82
    isopentanol 105.28
    n-heptane 3.86
    ethyl formate 84.85
    1,2-dichloroethane 146.76
    n-hexanol 104.9
    2-methoxyethanol 265.26
    isobutyl acetate 43.29
    tetrachloromethane 29.59
    n-pentyl acetate 57.94
    transcutol 756.52
    n-heptanol 50.95
    ethylbenzene 17.63
    MIBK 59.53
    2-propoxyethanol 185.02
    tert-butanol 194.24
    MTBE 68.24
    2-butoxyethanol 107.06
    propionic acid 280.43
    o-xylene 25.76
    formic acid 245.55
    diethyl ether 62.72
    m-xylene 27.46
    p-xylene 29.28
    chlorobenzene 86.55
    dimethyl carbonate 42.0
    n-octane 2.17
    formamide 226.44
    cyclopentanone 271.06
    2-pentanone 90.63
    anisole 64.89
    cyclopentyl methyl ether 86.39
    gamma-butyrolactone 357.91
    1-methoxy-2-propanol 202.53
    pyridine 171.27
    3-pentanone 61.12
    furfural 302.43
    n-dodecane 2.89
    diethylene glycol 197.46
    diisopropyl ether 18.74
    tert-amyl alcohol 128.02
    acetylacetone 140.29
    n-hexadecane 3.2
    acetophenone 73.06
    methyl propionate 89.12
    isopentyl acetate 75.95
    trichloroethylene 375.41
    n-nonanol 53.78
    cyclohexanol 106.93
    benzyl alcohol 74.88
    2-ethylhexanol 51.03
    isooctanol 40.05
    dipropyl ether 34.33
    1,2-dichlorobenzene 89.22
    ethyl lactate 54.99
    propylene carbonate 172.08
    n-methylformamide 176.87
    2-pentanol 82.43
    n-pentane 4.21
    1-propoxy-2-propanol 124.94
    1-methoxy-2-propyl acetate 100.62
    2-(2-methoxypropoxy) propanol 140.89
    mesitylene 19.75
    ε-caprolactone 179.13
    p-cymene 20.58
    epichlorohydrin 270.57
    1,1,1-trichloroethane 130.81
    2-aminoethanol 164.64
    morpholine-4-carbaldehyde 266.2
    sulfolane 366.77
    2,2,4-trimethylpentane 4.48
    2-methyltetrahydrofuran 188.06
    n-hexyl acetate 108.84
    isooctane 3.86
    2-(2-butoxyethoxy)ethanol 208.22
    sec-butyl acetate 42.52
    tert-butyl acetate 75.07
    decalin 5.2
    glycerin 194.28
    diglyme 275.48
    acrylic acid 299.06
    isopropyl myristate 37.48
    n-butyric acid 260.31
    acetyl acetate 104.39
    di(2-ethylhexyl) phthalate 53.22
    ethyl propionate 54.52
    nitromethane 595.33
    1,2-diethoxyethane 111.19
    benzonitrile 111.79
    trioctyl phosphate 35.56
    1-bromopropane 58.51
    gamma-valerolactone 326.28
    n-decanol 39.74
    triethyl phosphate 34.59
    4-methyl-2-pentanol 49.27
    propionitrile 111.31
    vinylene carbonate 165.85
    1,1,2-trichlorotrifluoroethane 264.86
    DMS 91.66
    cumene 18.87
    2-octanol 35.87
    2-hexanone 65.41
    octyl acetate 54.14
    limonene 28.75
    1,2-dimethoxyethane 149.73
    ethyl orthosilicate 31.65
    tributyl phosphate 45.85
    diacetone alcohol 124.81
    N,N-dimethylaniline 43.52
    acrylonitrile 169.77
    aniline 81.45
    1,3-propanediol 191.3
    bromobenzene 72.32
    dibromomethane 193.25
    1,1,2,2-tetrachloroethane 290.8
    2-methyl-cyclohexyl acetate 56.38
    tetrabutyl urea 53.52
    diisobutyl methanol 30.99
    2-phenylethanol 86.33
    styrene 23.0
    dioctyl adipate 66.48
    dimethyl sulfate 84.44
    ethyl butyrate 53.5
    methyl lactate 87.6
    butyl lactate 73.82
    diethyl carbonate 43.96
    propanediol butyl ether 158.17
    triethyl orthoformate 42.41
    p-tert-butyltoluene 20.15
    methyl 4-tert-butylbenzoate 87.27
    morpholine 288.2
    tert-butylamine 85.12
    n-dodecanol 28.91
    dimethoxymethane 101.3
    ethylene carbonate 114.83
    cyrene 106.54
    2-ethoxyethyl acetate 95.87
    2-ethylhexyl acetate 53.5
    1,2,4-trichlorobenzene 116.11
    4-methylpyridine 128.62
    dibutyl ether 41.97
    2,6-dimethyl-4-heptanol 30.99
    DEF 99.77
    dimethyl isosorbide 172.93
    tetrachloroethylene 168.75
    eugenol 98.86
    triacetin 125.53
    span 80 136.97
    1,4-butanediol 73.03
    1,1-dichloroethane 174.09
    2-methyl-1-pentanol 74.42
    methyl formate 127.52
    2-methyl-1-butanol 96.37
    n-decane 4.33
    butyronitrile 101.85
    3,7-dimethyl-1-octanol 61.2
    1-chlorooctane 25.13
    1-chlorotetradecane 10.46
    n-nonane 3.86
    undecane 3.42
    tert-butylcyclohexane 5.72
    cyclooctane 2.51
    cyclopentanol 153.06
    tetrahydropyran 166.38
    tert-amyl methyl ether 49.84
    2,5,8-trioxanonane 211.72
    1-hexene 21.65
    2-isopropoxyethanol 88.3
    2,2,2-trifluoroethanol 187.55
    methyl butyrate 71.49

    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