beta-Methyl-gamma-butyrolactone

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  • Identifiers

    CAS number
    1679-49-8

    Molecular formula
    C5H8O2

    SMILES
    CC1CC(=O)OC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Coumarinic 60.96%
    Coconut 57.83%
    Sweet 56.31%
    Caramellic 53.28%
    Nutty 50.11%
    Buttery 44.51%
    Lactonic 43.18%
    Hay 41.39%
    Creamy 41.08%
    Tobacco 40.88%

     

    Flavor
    Sweet 82.88%
    Caramel 53.94%
    Tobacco 53.05%
    Herbal 51.73%
    Coconut 44.32%
    Tonka 43.43%
    Coumarin 42.09%
    Woody 35.47%
    Nutty 32.65%
    Creamy 31.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.72 (weak base)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 55.29 ˚C est.

  • Synonyms

    • 1679-49-8
    • 3-Methylbutyrolactone
    • 4-methyloxolan-2-one
    • DTXSID70862733
    • RefChem:567910
    • beta-methyl-gamma-butyrolactone
    • DTXCID60811457
    • 839-297-4
    • Dihydro-4-methyl 2(3H)-furanone
    • 4-Methyldihydrofuran-2(3H)-one
    • 2(3H)-Furanone, dihydro-4-methyl-
    • dihydro-4-methyl-2(3H)-Furanone
    • 4-Methyltetrahydrofuran-2-one
    • 4-Methyldihydro-2(3H)-furanone
    • 3-Methyl-4-butanolide
    • (r)-beta-methyl-gamma-butyrolactone
    • (S)-Dihydro-4-methylfuran-2(3H)-one
    • (4R)-4-methyltetrahydrofuran-2-one
    • 3-Methylbutanolide
    • NSC134770
    • NSC 134770
    • 3-methyl-4-butyrolactone
    • SCHEMBL45956
    • SCHEMBL482789
    • 4-Methyl-dihydro-furan-2-one
    • SCHEMBL2038079
    • SCHEMBL2045180
    • SCHEMBL10006293
    • Dihydro-4-methyl2(3H)-furanone
    • s-beta-Methyl-gamma-butyrolactone
    • CHEBI:173338
    • 4-Methyldihydro-2(3H)-furanone #
    • EINECS 264-725-6
    • MFCD18427164
    • .beta.-Methyl-.gamma.-butyro-lactone
    • AKOS026674374
    • AT23255
    • NSC-134770
    • s-.beta.-Methyl-.gamma.-butyrolactone
    • SB44982
    • (S)-(-)-3-Methyl-gamma-butyrolactone
    • 3-Methyl-.gamma.-butyrolactone (NIST)
    • (S)-(-)-3-Methyl-.gamma.-butyrolactone
    • DB-360247
    • CS-0447895
    • NS00120133
    • EN300-83799
    • 1679-49-8

  • Applications

    beta-Methyl-gamma-butyrolactone (CAS 1679-49-8) is commonly used as an industrial solvent in coatings, inks, and cleaning formulations, and it also serves as a reactive intermediate in organic synthesis. It can function as a lactone-type monomer or precursor for lactone-based polymers via ring-opening polymerization, supporting specialized plastics and resin systems. Additionally, it is used as a chemical building block in routes to more complex organic molecules. In electronics-related manufacturing, it may be employed as a solvent medium for specialty processes, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 550.07
    methanol 902.2
    isopropanol 354.31
    water 86.68
    ethyl acetate 210.35
    n-propanol 311.34
    acetone 333.06
    n-butanol 249.54
    acetonitrile 290.6
    DMF 436.05
    toluene 31.21
    isobutanol 204.27
    1,4-dioxane 335.8
    methyl acetate 241.47
    THF 390.39
    2-butanone 197.76
    n-pentanol 172.84
    sec-butanol 275.15
    n-hexane 10.87
    ethylene glycol 335.88
    NMP 460.64
    cyclohexane 12.17
    DMSO 385.23
    n-butyl acetate 136.97
    n-octanol 156.81
    chloroform 579.85
    n-propyl acetate 121.53
    acetic acid 2387.89
    dichloromethane 409.36
    cyclohexanone 217.94
    propylene glycol 386.12
    isopropyl acetate 118.35
    DMAc 323.53
    2-ethoxyethanol 301.05
    isopentanol 185.36
    n-heptane 10.22
    ethyl formate 175.81
    1,2-dichloroethane 183.31
    n-hexanol 199.41
    2-methoxyethanol 551.9
    isobutyl acetate 75.82
    tetrachloromethane 38.03
    n-pentyl acetate 102.73
    transcutol 1172.58
    n-heptanol 109.26
    ethylbenzene 31.25
    MIBK 110.06
    2-propoxyethanol 337.09
    tert-butanol 347.94
    MTBE 138.76
    2-butoxyethanol 208.3
    propionic acid 543.13
    o-xylene 37.55
    formic acid 932.58
    diethyl ether 117.35
    m-xylene 36.0
    p-xylene 45.1
    chlorobenzene 107.25
    dimethyl carbonate 94.91
    n-octane 6.02
    formamide 675.16
    cyclopentanone 304.78
    2-pentanone 155.78
    anisole 124.8
    cyclopentyl methyl ether 131.92
    gamma-butyrolactone 448.71
    1-methoxy-2-propanol 399.2
    pyridine 198.6
    3-pentanone 101.56
    furfural 467.0
    n-dodecane 8.06
    diethylene glycol 389.72
    diisopropyl ether 38.2
    tert-amyl alcohol 290.1
    acetylacetone 224.11
    n-hexadecane 8.51
    acetophenone 147.23
    methyl propionate 162.96
    isopentyl acetate 127.2
    trichloroethylene 468.16
    n-nonanol 126.44
    cyclohexanol 180.84
    benzyl alcohol 146.91
    2-ethylhexanol 100.51
    isooctanol 85.74
    dipropyl ether 64.74
    1,2-dichlorobenzene 128.42
    ethyl lactate 123.55
    propylene carbonate 285.21
    n-methylformamide 353.65
    2-pentanol 174.52
    n-pentane 10.74
    1-propoxy-2-propanol 232.11
    1-methoxy-2-propyl acetate 162.8
    2-(2-methoxypropoxy) propanol 269.14
    mesitylene 28.75
    ε-caprolactone 257.29
    p-cymene 35.92
    epichlorohydrin 361.39
    1,1,1-trichloroethane 167.13
    2-aminoethanol 449.64
    morpholine-4-carbaldehyde 451.19
    sulfolane 477.72
    2,2,4-trimethylpentane 11.01
    2-methyltetrahydrofuran 255.76
    n-hexyl acetate 223.04
    isooctane 9.22
    2-(2-butoxyethoxy)ethanol 390.67
    sec-butyl acetate 80.15
    tert-butyl acetate 145.2
    decalin 11.49
    glycerin 540.51
    diglyme 464.67
    acrylic acid 643.24
    isopropyl myristate 76.65
    n-butyric acid 484.25
    acetyl acetate 200.75
    di(2-ethylhexyl) phthalate 98.73
    ethyl propionate 109.18
    nitromethane 1290.58
    1,2-diethoxyethane 172.93
    benzonitrile 167.62
    trioctyl phosphate 70.07
    1-bromopropane 86.63
    gamma-valerolactone 421.54
    n-decanol 93.26
    triethyl phosphate 64.66
    4-methyl-2-pentanol 106.58
    propionitrile 154.89
    vinylene carbonate 294.74
    1,1,2-trichlorotrifluoroethane 480.83
    DMS 163.3
    cumene 33.44
    2-octanol 84.17
    2-hexanone 119.23
    octyl acetate 108.86
    limonene 50.34
    1,2-dimethoxyethane 288.32
    ethyl orthosilicate 57.08
    tributyl phosphate 87.0
    diacetone alcohol 249.01
    N,N-dimethylaniline 84.88
    acrylonitrile 241.42
    aniline 113.97
    1,3-propanediol 445.46
    bromobenzene 84.06
    dibromomethane 216.06
    1,1,2,2-tetrachloroethane 360.58
    2-methyl-cyclohexyl acetate 106.08
    tetrabutyl urea 105.47
    diisobutyl methanol 61.1
    2-phenylethanol 147.06
    styrene 39.61
    dioctyl adipate 119.79
    dimethyl sulfate 156.95
    ethyl butyrate 98.01
    methyl lactate 182.03
    butyl lactate 138.55
    diethyl carbonate 83.05
    propanediol butyl ether 359.13
    triethyl orthoformate 76.76
    p-tert-butyltoluene 35.1
    methyl 4-tert-butylbenzoate 168.87
    morpholine 375.22
    tert-butylamine 178.55
    n-dodecanol 69.5
    dimethoxymethane 208.38
    ethylene carbonate 197.67
    cyrene 209.84
    2-ethoxyethyl acetate 156.0
    2-ethylhexyl acetate 88.6
    1,2,4-trichlorobenzene 176.31
    4-methylpyridine 169.06
    dibutyl ether 88.24
    2,6-dimethyl-4-heptanol 61.1
    DEF 183.27
    dimethyl isosorbide 294.07
    tetrachloroethylene 205.15
    eugenol 209.57
    triacetin 236.16
    span 80 257.44
    1,4-butanediol 184.31
    1,1-dichloroethane 200.32
    2-methyl-1-pentanol 149.97
    methyl formate 276.63
    2-methyl-1-butanol 183.15
    n-decane 11.81
    butyronitrile 151.83
    3,7-dimethyl-1-octanol 137.77
    1-chlorooctane 54.28
    1-chlorotetradecane 23.44
    n-nonane 10.82
    undecane 9.48
    tert-butylcyclohexane 12.87
    cyclooctane 4.91
    cyclopentanol 233.48
    tetrahydropyran 194.75
    tert-amyl methyl ether 108.02
    2,5,8-trioxanonane 370.17
    1-hexene 40.65
    2-isopropoxyethanol 198.33
    2,2,2-trifluoroethanol 579.52
    methyl butyrate 141.98

    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