alpha-Methylbutyrolactone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1679-47-6

    Molecular formula
    C5H8O2

    SMILES
    CC1CCOC1=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1605.0

  • Odor profile

    Coumarinic 55.97%
    Caramellic 54.76%
    Coconut 53.88%
    Nutty 44.34%
    Sweet 42.11%
    Lactonic 40.85%
    Buttery 40.32%
    Tobacco 39.55%
    Burnt 38.86%
    Hay 38.05%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.57 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point est.
    56.94 ˚C

  • Synonyms

    • 1679-47-6
    • 3-methyldihydrofuran-2(3H)-one
    • alpha-Methyl-gamma-butyrolactone
    • 3-methyloxolan-2-one
    • Dihydro-3-methyl-2(3H)-furanone
    • 2-Methylbutanolide
    • alpha-Methylbutyrolactone
    • 2(3H)-Furanone, dihydro-3-methyl-
    • .alpha.-Methylbutyrolactone
    • 2-methylbutyrolactone
    • .alpha.-Methyl-.gamma.-butyrolactone
    • 2-Methyl-4-butanolide
    • 2-Methyl-.gamma.-butyrolactone
    • 4-Hydroxy-2-methylbutyric acid lactone
    • 4-Hydroxy-2-methylbutanoic acid lactone
    • 3-methyldihydrofuran-2-one
    • 3-methyltetrahydrofuran-2-one
    • 140H0G0P5W
    • EINECS 216-846-0
    • MFCD00005396
    • NSC-102837
    • 2-Methyl-gamma-butyrolactone
    • 4,5-Dihydro-3-methyl-2(3H)-furanone
    • 3-METHYL-2-OXOOXOLANE
    • 3-Methyldihydro-2(3H)-furanone
    • DTXSID401030919
    • NSC 102837
    • (+/-)-DIHYDRO-3-METHYL-2(3H)-FURANONE
    • (+/-)-.ALPHA.-METHYL-.GAMMA.-BUTYROLACTONE
    • BUTYRIC ACID, 4-HYDROXY-2-METHYL-, .GAMMA.-LACTONE
    • BUTYRIC ACID, .GAMMA.-HYDROXY-.ALPHA.-METHYL-, .GAMMA.-LACTONE
    • 2(3H)-Furanone, dihydromethyl-
    • Gama-Valerolactone
    • methyl-butyrolactone
    • NSC102837
    • a-Methyl-g-butyrolactone
    • a-Methyl-?-butyrolactone
    • alpha -methylbutyrolactone
    • |A-Methyl-|A-butyrolactone
    • 2-methyl-gamma-butyro-lactone
    • CHEMBL36365
    • SCHEMBL105334
    • UNII-140H0G0P5W
    • 3-Methyl-dihydro-furan-2-one
    • 4,5Dihydro3methyl2(3H)furanone
    • DTXCID70892792
    • CHEBI:173343
    • alpha -Methyl- gamma -butyrolactone
    • (+/-)-2-METHYLBUTYROLACTONE
    • AKOS015900293
    • alpha-Methyl-gamma-butyrolactone, 98%
    • alpha -methyl-alpha -methylbutyrolactone
    • 2-Methyl-laquo gammaRaquo -butyrolactone
    • SY051660
    • DB-043724
    • alpha -methyl-laquo gammaRaquo -butyrolactone
    • CS-0152675
    • M1100
    • NS00046105
    • EN300-94873
    • (+/-)-ALPHA-METHYL-GAMMA-BUTYROLACTONE
    • D70164
    • BUTYRIC ACID, 4-HYDROXY-2-METHYL-, GAMMA-LACTONE
    • BUTYRIC ACID, GAMMA-HYDROXY-ALPHA-METHYL-, GAMMA-LACTONE
    • 216-846-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 561.16
    methanol 996.72
    isopropanol 348.39
    water 128.04
    ethyl acetate 215.25
    n-propanol 286.77
    acetone 376.73
    n-butanol 245.62
    acetonitrile 499.44
    DMF 493.26
    toluene 60.8
    isobutanol 252.59
    1,4-dioxane 299.45
    methyl acetate 312.15
    THF 265.2
    2-butanone 228.34
    n-pentanol 209.35
    sec-butanol 255.62
    n-hexane 6.93
    ethylene glycol 201.92
    NMP 286.22
    cyclohexane 5.53
    DMSO 396.95
    n-butyl acetate 88.5
    n-octanol 94.43
    chloroform 707.29
    n-propyl acetate 134.23
    acetic acid 1057.84
    dichloromethane 596.03
    cyclohexanone 187.83
    propylene glycol 212.18
    isopropyl acetate 129.99
    DMAc 440.15
    2-ethoxyethanol 420.76
    isopentanol 272.34
    n-heptane 4.16
    ethyl formate 236.22
    1,2-dichloroethane 220.49
    n-hexanol 115.27
    2-methoxyethanol 569.29
    isobutyl acetate 90.59
    tetrachloromethane 113.98
    n-pentyl acetate 101.97
    transcutol 953.14
    n-heptanol 96.67
    ethylbenzene 41.37
    MIBK 128.83
    2-propoxyethanol 235.17
    tert-butanol 391.7
    MTBE 183.94
    2-butoxyethanol 230.16
    propionic acid 411.11
    o-xylene 56.5
    formic acid 750.08
    diethyl ether 112.91
    m-xylene 48.48
    p-xylene 77.53
    chlorobenzene 136.91
    dimethyl carbonate 94.37
    n-octane 3.34
    formamide 1046.21
    cyclopentanone 268.81
    2-pentanone 147.42
    anisole 162.72
    cyclopentyl methyl ether 95.46
    gamma-butyrolactone 382.6
    1-methoxy-2-propanol 341.56
    pyridine 345.32
    3-pentanone 89.07
    furfural 526.6
    n-dodecane 4.26
    diethylene glycol 243.13
    diisopropyl ether 36.13
    tert-amyl alcohol 328.2
    acetylacetone 235.2
    n-hexadecane 4.56
    acetophenone 177.7
    methyl propionate 151.5
    isopentyl acetate 103.2
    trichloroethylene 625.59
    n-nonanol 81.69
    cyclohexanol 115.3
    benzyl alcohol 207.85
    2-ethylhexanol 63.48
    isooctanol 91.53
    dipropyl ether 33.79
    1,2-dichlorobenzene 147.14
    ethyl lactate 87.3
    propylene carbonate 226.24
    n-methylformamide 483.05
    2-pentanol 153.44
    n-pentane 7.7
    1-propoxy-2-propanol 134.56
    1-methoxy-2-propyl acetate 109.67
    2-(2-methoxypropoxy) propanol 201.42
    mesitylene 34.36
    ε-caprolactone 204.26
    p-cymene 29.53
    epichlorohydrin 385.36
    1,1,1-trichloroethane 269.52
    2-aminoethanol 398.68
    morpholine-4-carbaldehyde 419.01
    sulfolane 321.88
    2,2,4-trimethylpentane 11.13
    2-methyltetrahydrofuran 195.88
    n-hexyl acetate 139.49
    isooctane 7.76
    2-(2-butoxyethoxy)ethanol 278.72
    sec-butyl acetate 93.73
    tert-butyl acetate 142.61
    decalin 7.32
    glycerin 286.67
    diglyme 485.54
    acrylic acid 439.55
    isopropyl myristate 48.29
    n-butyric acid 396.12
    acetyl acetate 182.61
    di(2-ethylhexyl) phthalate 74.11
    ethyl propionate 93.52
    nitromethane 1286.42
    1,2-diethoxyethane 156.36
    benzonitrile 245.12
    trioctyl phosphate 44.71
    1-bromopropane 91.81
    gamma-valerolactone 409.63
    n-decanol 54.82
    triethyl phosphate 46.92
    4-methyl-2-pentanol 123.01
    propionitrile 225.59
    vinylene carbonate 249.97
    1,1,2-trichlorotrifluoroethane 457.31
    DMS 118.13
    cumene 41.62
    2-octanol 70.91
    2-hexanone 122.29
    octyl acetate 66.91
    limonene 33.44
    1,2-dimethoxyethane 348.0
    ethyl orthosilicate 46.52
    tributyl phosphate 54.78
    diacetone alcohol 223.02
    N,N-dimethylaniline 113.32
    acrylonitrile 390.43
    aniline 184.55
    1,3-propanediol 373.39
    bromobenzene 117.38
    dibromomethane 294.5
    1,1,2,2-tetrachloroethane 396.03
    2-methyl-cyclohexyl acetate 79.64
    tetrabutyl urea 60.18
    diisobutyl methanol 44.98
    2-phenylethanol 143.72
    styrene 59.08
    dioctyl adipate 78.11
    dimethyl sulfate 154.93
    ethyl butyrate 69.12
    methyl lactate 123.47
    butyl lactate 104.19
    diethyl carbonate 59.42
    propanediol butyl ether 245.47
    triethyl orthoformate 56.76
    p-tert-butyltoluene 28.94
    methyl 4-tert-butylbenzoate 155.5
    morpholine 334.44
    tert-butylamine 218.11
    n-dodecanol 38.01
    dimethoxymethane 210.86
    ethylene carbonate 164.75
    cyrene 167.61
    2-ethoxyethyl acetate 168.82
    2-ethylhexyl acetate 68.46
    1,2,4-trichlorobenzene 186.32
    4-methylpyridine 309.15
    dibutyl ether 57.45
    2,6-dimethyl-4-heptanol 44.98
    DEF 178.44
    dimethyl isosorbide 229.3
    tetrachloroethylene 328.56
    eugenol 184.53
    triacetin 167.43
    span 80 160.34
    1,4-butanediol 211.62
    1,1-dichloroethane 264.08
    2-methyl-1-pentanol 227.41
    methyl formate 326.66
    2-methyl-1-butanol 239.66
    n-decane 6.39
    butyronitrile 216.77
    3,7-dimethyl-1-octanol 99.02
    1-chlorooctane 33.97
    1-chlorotetradecane 13.57
    n-nonane 5.51
    undecane 5.03
    tert-butylcyclohexane 10.3
    cyclooctane 2.64
    cyclopentanol 153.79
    tetrahydropyran 122.75
    tert-amyl methyl ether 122.96
    2,5,8-trioxanonane 303.49
    1-hexene 36.0
    2-isopropoxyethanol 276.16
    2,2,2-trifluoroethanol 430.42
    methyl butyrate 151.02

    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

Botanical

Name CAS Botanical Proportion
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 13.38%