Pantolactone, (+/-)-

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  • Identifiers

    CAS number
    79-50-5

    Molecular formula
    C6H10O3

    SMILES
    CC1(COC(=O)C1O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 78.68%
    Caramellic 64.92%
    Burnt 43.21%
    Roasted 33.14%
    Nutty 31.66%
    Tobacco 30.9%
    Coffee 29.39%
    Hay 28.52%
    Creamy 27.04%
    Phenolic 26.76%

     

    Flavor
    Sweet 77.28%
    Caramel 45.76%
    Tobacco 44.96%
    Fruity 41.58%
    Bitter 39.82%
    Woody 37.62%
    Herbal 36.32%
    Maple 27.63%
    Sugar 27.28%
    Musty 26.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.03 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 102.38 ˚C est.

  • Synonyms

    • DL-Pantolactone
    • 79-50-5
    • 3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
    • 3-hydroxy-4,4-dimethyloxolan-2-one
    • DL-Pantoyl Lactone
    • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-
    • 52126-90-6
    • IID733HD2M
    • Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
    • PANTOLACTONE, (+/-)-
    • DTXSID40861637
    • (+/-)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
    • 3-HYDROXYDIHYDRO-4,4-DIMETHYL-2(3H)-FURANONE
    • Pantolyl lactone
    • (D)-Pantolactone
    • NSC 5926
    • EINECS 201-210-7
    • NSC 135788
    • (rs)-pantolactone
    • BUTYRIC ACID, .ALPHA.,.GAMMA.-DIHYDROXY-.BETA.,.BETA.-DIMETHYL-, .GAMMA.-LACTONE
    • AI3-23741
    • D-(-)-Pantolyl lactone
    • EC 201-210-7
    • D-(-)-Pantoic acid lactone
    • MFCD00064333
    • UNII-IID733HD2M
    • dlLactone
    • dlPantoyllactone
    • MFCD00005392
    • alpha-hydroxy-beta
    • D,L-Pantolactone; DL-Pantolactone; (+/-)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone; Calcium Pantothenate Impurity C
    • (+/-)-pantolactone
    • D-(-)-Pantanolactone
    • alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone
    • D(-)-2-Hydroxy-3,3-dimethyl-.gamma.-butyrolactone
    • (1)-Dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one
    • DL-2-Hydroxy-3,3-dimethyl-gamma-butyrolactone
    • Pantolactone DL-Form [MI]
    • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, D-(-)-
    • 3-Hydroxy-4,4-dimethyldihydro-2(3H)-furanone-, D-(-)- #
    • SCHEMBL152955
    • D-(-)-.alpha.Hydroxy-.beta.,.beta.-dimethyl-.gamma.-butyrolactone
    • PANTOLACTONE, (+-)-
    • (+-)-dihydro-3-hydroxy-4,4-dimethylfuran-2(3H)-one
    • CHEMBL4066633
    • (+/-)-PANTOYL LACTONE
    • DTXCID90810534
    • NSC5926
    • NSC8113
    • NSC8114
    • CHEBI:194720
    • NSC-5926
    • NSC-8113
    • NSC-8114
    • BBL005601
    • NSC135788
    • STK801814
    • AKOS003624024
    • FP31950
    • HY-W053519
    • NSC-135788
    • SB37868
    • AS-12830
    • SY040562
    • SY110580
    • RSDihydro3hydroxy4,4dimethyl2(3H)furanone
    • 2-hydroxy-3,3-dimethyl-gamma-butyrolactone
    • DB-053494
    • DB-056366
    • DB-228643
    • CS-0046126
    • NS00008853
    • NS00114080
    • P0010
    • dlalphaHydroxybeta,betadimethylgammabutyrolactone
    • EN300-128349
    • 2(3H)Furanone, dihydro3hydroxy4,4dimethyl (+)
    • 4,4-Dimethyl-3-hydroxy-dihydro-2(3H)-furanone
    • SR-01000944792
    • beta,beta-Dimethyl-alpha-hydroxy-gamma-butyrolactone
    • SR-01000944792-1
    • Q22829045
    • Z57111995
    • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, ( )-
    • (+/-)-2-HYDROXY-3,3-DIMETHYL-.GAMMA.-BUTYROLACTONE
    • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (+/-)-
    • DL-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone, 97%
    • 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-
    • 3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one (DL-Pantolactone)
    • DL- alpha -Hydroxy- beta , beta -dimethyl- gamma -butyrolactone
    • (S)-(+)-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone; L-(+)-Pantolactone
    • BUTYRIC ACID, ALPHA,GAMMA-DIHYDROXY-BETA,BETA-DIMETHYL-, GAMMA-LACTONE
    • DL-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone, purum, >=98.0% (T)

  • Applications

    Pantolactone, (+/-)- is a five-member lactone primarily used as an intermediate in organic synthesis across several sectors. In pharmaceutical and agrochemical development, it often serves as a chiral building block for the synthesis of active intermediate compounds. In polymers and plastics, it may be used as a monomer precursor or a component in polyester preparation via ring-opening polymerization. In fragrance and cosmetics, pantolactone is considered as a precursor or ingredient for fragrance formulations and personal-care products. It is also evaluated for industrial and specialty chemical applications, depending on reaction conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2408.09
    methanol 1991.78
    isopropanol 910.9
    water 1412.5
    ethyl acetate 918.95
    n-propanol 831.8
    acetone 556.39
    n-butanol 534.63
    acetonitrile 450.89
    DMF 638.81
    toluene 18.74
    isobutanol 317.18
    1,4-dioxane 503.09
    methyl acetate 445.32
    THF 448.91
    2-butanone 290.3
    n-pentanol 185.41
    sec-butanol 521.93
    n-hexane 3.92
    ethylene glycol 887.8
    NMP 314.7
    cyclohexane 6.63
    DMSO 562.76
    n-butyl acetate 86.56
    n-octanol 99.71
    chloroform 281.02
    n-propyl acetate 138.5
    acetic acid 2325.36
    dichloromethane 255.26
    cyclohexanone 182.1
    propylene glycol 728.27
    isopropyl acetate 294.48
    DMAc 390.04
    2-ethoxyethanol 843.08
    isopentanol 261.96
    n-heptane 5.87
    ethyl formate 457.44
    1,2-dichloroethane 123.2
    n-hexanol 158.74
    2-methoxyethanol 2209.96
    isobutyl acetate 52.51
    tetrachloromethane 52.37
    n-pentyl acetate 71.77
    transcutol 959.86
    n-heptanol 112.91
    ethylbenzene 16.87
    MIBK 147.96
    2-propoxyethanol 479.82
    tert-butanol 565.84
    MTBE 168.26
    2-butoxyethanol 285.12
    propionic acid 709.66
    o-xylene 24.8
    formic acid 3411.08
    diethyl ether 278.65
    m-xylene 25.48
    p-xylene 27.1
    chlorobenzene 41.6
    dimethyl carbonate 167.63
    n-octane 4.09
    formamide 3953.26
    cyclopentanone 252.39
    2-pentanone 322.5
    anisole 85.33
    cyclopentyl methyl ether 144.04
    gamma-butyrolactone 459.12
    1-methoxy-2-propanol 1142.95
    pyridine 182.24
    3-pentanone 140.46
    furfural 384.97
    n-dodecane 3.68
    diethylene glycol 626.47
    diisopropyl ether 50.72
    tert-amyl alcohol 435.11
    acetylacetone 385.59
    n-hexadecane 3.8
    acetophenone 103.39
    methyl propionate 448.42
    isopentyl acetate 78.01
    trichloroethylene 310.21
    n-nonanol 83.32
    cyclohexanol 176.62
    benzyl alcohol 116.97
    2-ethylhexanol 67.75
    isooctanol 82.75
    dipropyl ether 48.31
    1,2-dichlorobenzene 52.63
    ethyl lactate 138.41
    propylene carbonate 276.74
    n-methylformamide 1091.67
    2-pentanol 322.19
    n-pentane 7.92
    1-propoxy-2-propanol 239.15
    1-methoxy-2-propyl acetate 169.29
    2-(2-methoxypropoxy) propanol 187.61
    mesitylene 19.89
    ε-caprolactone 269.07
    p-cymene 19.55
    epichlorohydrin 388.73
    1,1,1-trichloroethane 120.1
    2-aminoethanol 1403.51
    morpholine-4-carbaldehyde 537.03
    sulfolane 330.7
    2,2,4-trimethylpentane 6.82
    2-methyltetrahydrofuran 300.16
    n-hexyl acetate 118.64
    isooctane 6.24
    2-(2-butoxyethoxy)ethanol 299.35
    sec-butyl acetate 88.33
    tert-butyl acetate 212.13
    decalin 4.84
    glycerin 988.9
    diglyme 477.99
    acrylic acid 646.18
    isopropyl myristate 35.65
    n-butyric acid 847.36
    acetyl acetate 311.6
    di(2-ethylhexyl) phthalate 48.86
    ethyl propionate 149.93
    nitromethane 2155.9
    1,2-diethoxyethane 132.76
    benzonitrile 71.77
    trioctyl phosphate 36.18
    1-bromopropane 50.28
    gamma-valerolactone 472.38
    n-decanol 55.57
    triethyl phosphate 40.12
    4-methyl-2-pentanol 133.52
    propionitrile 159.25
    vinylene carbonate 239.83
    1,1,2-trichlorotrifluoroethane 553.68
    DMS 104.06
    cumene 18.21
    2-octanol 71.13
    2-hexanone 85.43
    octyl acetate 52.83
    limonene 27.52
    1,2-dimethoxyethane 474.69
    ethyl orthosilicate 37.02
    tributyl phosphate 38.76
    diacetone alcohol 404.73
    N,N-dimethylaniline 58.49
    acrylonitrile 245.12
    aniline 92.8
    1,3-propanediol 1624.66
    bromobenzene 30.55
    dibromomethane 121.59
    1,1,2,2-tetrachloroethane 233.07
    2-methyl-cyclohexyl acetate 60.4
    tetrabutyl urea 49.01
    diisobutyl methanol 41.13
    2-phenylethanol 111.08
    styrene 17.7
    dioctyl adipate 54.15
    dimethyl sulfate 229.66
    ethyl butyrate 75.62
    methyl lactate 309.44
    butyl lactate 92.65
    diethyl carbonate 53.65
    propanediol butyl ether 265.36
    triethyl orthoformate 49.92
    p-tert-butyltoluene 20.86
    methyl 4-tert-butylbenzoate 123.72
    morpholine 703.72
    tert-butylamine 208.27
    n-dodecanol 38.14
    dimethoxymethane 522.27
    ethylene carbonate 182.99
    cyrene 176.36
    2-ethoxyethyl acetate 139.96
    2-ethylhexyl acetate 47.59
    1,2,4-trichlorobenzene 70.64
    4-methylpyridine 121.76
    dibutyl ether 41.62
    2,6-dimethyl-4-heptanol 41.13
    DEF 345.97
    dimethyl isosorbide 217.98
    tetrachloroethylene 193.46
    eugenol 139.08
    triacetin 125.48
    span 80 143.36
    1,4-butanediol 364.6
    1,1-dichloroethane 143.25
    2-methyl-1-pentanol 133.14
    methyl formate 685.02
    2-methyl-1-butanol 261.65
    n-decane 5.88
    butyronitrile 172.18
    3,7-dimethyl-1-octanol 84.7
    1-chlorooctane 24.01
    1-chlorotetradecane 9.47
    n-nonane 5.45
    undecane 4.51
    tert-butylcyclohexane 5.21
    cyclooctane 3.58
    cyclopentanol 235.14
    tetrahydropyran 201.51
    tert-amyl methyl ether 135.88
    2,5,8-trioxanonane 287.89
    1-hexene 15.78
    2-isopropoxyethanol 370.9
    2,2,2-trifluoroethanol 1119.67
    methyl butyrate 185.0

    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