3-Benzyloxolan-2-one

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  • Identifiers

    CAS number
    61129-28-0

    Molecular formula
    C11H12O2

    SMILES
    C1COC(=O)C1CC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.32%
    Floral 64.96%
    Fruity 56.82%
    Spicy 52.11%
    Balsamic 48.84%
    Coumarinic 44.97%
    Honey 43.38%
    Cinnamon 42.81%
    Powdery 39.37%
    Green 35.62%

     

    Flavor
    Sweet 72.31%
    Balsam 50.29%
    Floral 43.45%
    Herbal 41.86%
    Coconut 38.87%
    Peach 36.11%
    Tonka 35.34%
    Oily 34.51%
    Honey 34.33%
    Creamy 33.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.47 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 133.25 ˚C est.

  • Synonyms

    • 3-benzyloxolan-2-one
    • 61129-28-0
    • 2(3H)-Furanone, dihydro-3-(phenylmethyl)-
    • 2-Benzyl-butyrolactone
    • benzylbutyrolactone
    • 2-benzyl-gamma-butyrolactone
    • alpha-benzyl-gamma-butyrolactone
    • SCHEMBL3685687
    • DTXSID60340232
    • 3-Benzyldihydro-2(3H)-furanone #
    • EN300-316038
    • 102-086-6

  • Applications

    3-Benzyloxolan-2-one is mainly used as an intermediate in organic synthesis and as a protected lactone-building block. It serves in pharmaceutical and fine-chemical workflows as a versatile precursor for lactone-containing frameworks and for conversion into more complex intermediates or APIs. Its benzyloxy lactone structure allows selective transformations with convenient deprotection, supporting protecting-group strategies in multi-step syntheses. In polymer chemistry, it can act as a monomer or monomer precursor for polyester-type materials via ring-opening polymerization, enabling access to lactone-derived polymers, including applications in coatings and inks. Overall, the compound is leveraged where controlled lactone chemistry and protected alcohol functionality are advantageous, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 372.69
    methanol 621.15
    isopropanol 214.9
    water 1.29
    ethyl acetate 613.53
    n-propanol 244.09
    acetone 586.9
    n-butanol 189.8
    acetonitrile 715.78
    DMF 734.83
    toluene 189.52
    isobutanol 156.09
    1,4-dioxane 753.62
    methyl acetate 618.83
    THF 480.67
    2-butanone 537.78
    n-pentanol 160.77
    sec-butanol 155.92
    n-hexane 2.51
    ethylene glycol 158.22
    NMP 331.54
    cyclohexane 5.08
    DMSO 874.9
    n-butyl acetate 245.03
    n-octanol 60.56
    chloroform 1368.82
    n-propyl acetate 314.12
    acetic acid 431.01
    dichloromethane 1500.63
    cyclohexanone 421.26
    propylene glycol 147.67
    isopropyl acetate 264.65
    DMAc 675.94
    2-ethoxyethanol 413.57
    isopentanol 209.26
    n-heptane 2.75
    ethyl formate 345.18
    1,2-dichloroethane 798.4
    n-hexanol 123.8
    2-methoxyethanol 587.81
    isobutyl acetate 186.92
    tetrachloromethane 66.42
    n-pentyl acetate 112.21
    transcutol 2058.38
    n-heptanol 61.19
    ethylbenzene 100.62
    MIBK 206.86
    2-propoxyethanol 305.79
    tert-butanol 236.69
    MTBE 209.02
    2-butoxyethanol 170.94
    propionic acid 315.27
    o-xylene 109.59
    formic acid 233.15
    diethyl ether 235.76
    m-xylene 110.48
    p-xylene 117.86
    chlorobenzene 300.68
    dimethyl carbonate 217.61
    n-octane 1.86
    formamide 532.24
    cyclopentanone 523.56
    2-pentanone 347.26
    anisole 342.9
    cyclopentyl methyl ether 168.72
    gamma-butyrolactone 701.13
    1-methoxy-2-propanol 351.57
    pyridine 677.2
    3-pentanone 257.06
    furfural 710.52
    n-dodecane 2.82
    diethylene glycol 289.52
    diisopropyl ether 51.28
    tert-amyl alcohol 178.35
    acetylacetone 463.44
    n-hexadecane 3.33
    acetophenone 311.24
    methyl propionate 402.78
    isopentyl acetate 212.37
    trichloroethylene 1682.7
    n-nonanol 56.15
    cyclohexanol 106.72
    benzyl alcohol 255.99
    2-ethylhexanol 78.89
    isooctanol 58.86
    dipropyl ether 73.88
    1,2-dichlorobenzene 275.23
    ethyl lactate 136.08
    propylene carbonate 390.15
    n-methylformamide 533.92
    2-pentanol 111.56
    n-pentane 2.27
    1-propoxy-2-propanol 184.72
    1-methoxy-2-propyl acetate 258.0
    2-(2-methoxypropoxy) propanol 219.85
    mesitylene 60.46
    ε-caprolactone 359.49
    p-cymene 49.13
    epichlorohydrin 977.91
    1,1,1-trichloroethane 425.6
    2-aminoethanol 234.22
    morpholine-4-carbaldehyde 554.49
    sulfolane 535.26
    2,2,4-trimethylpentane 4.89
    2-methyltetrahydrofuran 312.31
    n-hexyl acetate 172.19
    isooctane 4.38
    2-(2-butoxyethoxy)ethanol 339.42
    sec-butyl acetate 197.24
    tert-butyl acetate 221.1
    decalin 8.96
    glycerin 218.75
    diglyme 668.98
    acrylic acid 314.92
    isopropyl myristate 62.97
    n-butyric acid 368.38
    acetyl acetate 307.86
    di(2-ethylhexyl) phthalate 77.59
    ethyl propionate 252.96
    nitromethane 1073.89
    1,2-diethoxyethane 335.55
    benzonitrile 337.04
    trioctyl phosphate 44.29
    1-bromopropane 217.62
    gamma-valerolactone 672.68
    n-decanol 42.52
    triethyl phosphate 83.73
    4-methyl-2-pentanol 84.43
    propionitrile 397.59
    vinylene carbonate 397.17
    1,1,2-trichlorotrifluoroethane 505.59
    DMS 227.84
    cumene 66.99
    2-octanol 38.51
    2-hexanone 250.66
    octyl acetate 79.1
    limonene 55.2
    1,2-dimethoxyethane 565.93
    ethyl orthosilicate 75.32
    tributyl phosphate 64.27
    diacetone alcohol 254.07
    N,N-dimethylaniline 174.84
    acrylonitrile 632.27
    aniline 265.37
    1,3-propanediol 277.29
    bromobenzene 316.24
    dibromomethane 695.44
    1,1,2,2-tetrachloroethane 953.79
    2-methyl-cyclohexyl acetate 129.88
    tetrabutyl urea 82.5
    diisobutyl methanol 48.76
    2-phenylethanol 175.46
    styrene 146.98
    dioctyl adipate 106.95
    dimethyl sulfate 283.17
    ethyl butyrate 185.28
    methyl lactate 177.15
    butyl lactate 108.92
    diethyl carbonate 145.13
    propanediol butyl ether 198.64
    triethyl orthoformate 109.29
    p-tert-butyltoluene 44.18
    methyl 4-tert-butylbenzoate 174.62
    morpholine 675.65
    tert-butylamine 108.55
    n-dodecanol 32.32
    dimethoxymethane 453.13
    ethylene carbonate 314.16
    cyrene 193.93
    2-ethoxyethyl acetate 233.41
    2-ethylhexyl acetate 150.69
    1,2,4-trichlorobenzene 333.42
    4-methylpyridine 559.87
    dibutyl ether 79.63
    2,6-dimethyl-4-heptanol 48.76
    DEF 371.8
    dimethyl isosorbide 301.04
    tetrachloroethylene 552.28
    eugenol 191.51
    triacetin 232.41
    span 80 141.21
    1,4-butanediol 127.76
    1,1-dichloroethane 637.23
    2-methyl-1-pentanol 166.86
    methyl formate 410.26
    2-methyl-1-butanol 165.6
    n-decane 4.22
    butyronitrile 297.85
    3,7-dimethyl-1-octanol 75.67
    1-chlorooctane 34.4
    1-chlorotetradecane 14.5
    n-nonane 3.28
    undecane 3.36
    tert-butylcyclohexane 9.55
    cyclooctane 2.35
    cyclopentanol 113.86
    tetrahydropyran 308.45
    tert-amyl methyl ether 133.74
    2,5,8-trioxanonane 401.2
    1-hexene 31.99
    2-isopropoxyethanol 272.61
    2,2,2-trifluoroethanol 177.53
    methyl butyrate 341.78

    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