(2S,5S)-2,5-diethyloxolane

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  • Identifiers

    CAS number
    32101-31-8

    Molecular formula
    C8H16O

    SMILES
    CC[C@H]1CC[C@@H](O1)CC

  • Odor profile

    Sweet 71.67%
    Mint 60.27%
    Herbal 59.09%
    Solvent 52.54%
    Ethereal 47.96%
    Fresh 38.97%
    Green 37.75%
    Camphoreous 37.65%
    Musty 35.85%
    Woody 30.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.47 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point est.
    26.56 ˚C

  • Applications

    (2S,5S)-2,5-Diethyloxolane (CAS 32101-31-8) is a chiral oxolane (tetrahydrofuran derivative) with two stereocenters, used mainly in R&D: it is explored as a hydrophobic, medium‑polarity cyclic solvent with a broad thermal window for moisture‑sensitive or dehydrative transformations, as a chiral medium that can influence stereochemical recognition and selectivity, and as a versatile asymmetric building block (ring opening to access configurationally defined 2,5‑substituted 1,4‑diols, or selective derivatization en route to ligand/organocatalyst precursors and pharmaceutical scaffolds); it is also employed as an intermediate for libraries of oxolane derivatives, as a reference compound in mechanistic, chiral, and conformational studies, and is considered for materials contexts that benefit from robust cyclic solvents with low water miscibility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1895.88
    methanol 1690.32
    isopropanol 1633.27
    water 1.63
    ethyl acetate 1851.76
    n-propanol 1793.42
    acetone 1439.75
    n-butanol 1932.33
    acetonitrile 1945.8
    DMF 1010.43
    toluene 1606.91
    isobutanol 1459.29
    1,4-dioxane 2700.9
    methyl acetate 1401.71
    THF 3720.87
    2-butanone 1554.37
    n-pentanol 1353.68
    sec-butanol 1771.18
    n-hexane 1411.1
    ethylene glycol 263.78
    NMP 1471.21
    cyclohexane 1796.03
    DMSO 1168.33
    n-butyl acetate 2796.93
    n-octanol 1213.87
    chloroform 9192.04
    n-propyl acetate 1470.48
    acetic acid 1261.11
    dichloromethane 7229.52
    cyclohexanone 2718.61
    propylene glycol 447.71
    isopropyl acetate 1366.04
    DMAc 955.79
    2-ethoxyethanol 1147.91
    isopentanol 1691.77
    n-heptane 1521.22
    ethyl formate 1128.29
    1,2-dichloroethane 2991.7
    n-hexanol 2429.36
    2-methoxyethanol 1316.64
    isobutyl acetate 1024.88
    tetrachloromethane 2222.34
    n-pentyl acetate 1566.25
    transcutol 2917.78
    n-heptanol 1171.87
    ethylbenzene 956.59
    MIBK 1055.79
    2-propoxyethanol 2006.88
    tert-butanol 1833.67
    MTBE 2056.81
    2-butoxyethanol 1295.66
    propionic acid 1280.69
    o-xylene 925.98
    formic acid 288.77
    diethyl ether 2400.37
    m-xylene 968.54
    p-xylene 1169.98
    chlorobenzene 2243.17
    dimethyl carbonate 371.55
    n-octane 499.66
    formamide 333.32
    cyclopentanone 2337.13
    2-pentanone 1471.28
    anisole 1354.24
    cyclopentyl methyl ether 2334.74
    gamma-butyrolactone 2457.13
    1-methoxy-2-propanol 1230.76
    pyridine 2730.86
    3-pentanone 1226.62
    furfural 2019.47
    n-dodecane 293.48
    diethylene glycol 820.47
    diisopropyl ether 936.71
    tert-amyl alcohol 1661.47
    acetylacetone 1193.76
    n-hexadecane 329.57
    acetophenone 1066.05
    methyl propionate 1131.13
    isopentyl acetate 2075.93
    trichloroethylene 4751.08
    n-nonanol 1042.7
    cyclohexanol 2201.41
    benzyl alcohol 1026.22
    2-ethylhexanol 1811.45
    isooctanol 961.6
    dipropyl ether 2460.5
    1,2-dichlorobenzene 2074.17
    ethyl lactate 526.03
    propylene carbonate 1755.23
    n-methylformamide 693.54
    2-pentanol 1580.39
    n-pentane 1113.75
    1-propoxy-2-propanol 1811.84
    1-methoxy-2-propyl acetate 1371.42
    2-(2-methoxypropoxy) propanol 937.97
    mesitylene 691.36
    ε-caprolactone 2513.36
    p-cymene 936.31
    epichlorohydrin 2825.4
    1,1,1-trichloroethane 3776.75
    2-aminoethanol 611.34
    morpholine-4-carbaldehyde 1482.74
    sulfolane 2173.12
    2,2,4-trimethylpentane 444.0
    2-methyltetrahydrofuran 3499.86
    n-hexyl acetate 1946.18
    isooctane 353.07
    2-(2-butoxyethoxy)ethanol 1278.19
    sec-butyl acetate 1040.85
    tert-butyl acetate 1264.7
    decalin 638.09
    glycerin 452.47
    diglyme 2195.41
    acrylic acid 927.19
    isopropyl myristate 845.46
    n-butyric acid 2047.79
    acetyl acetate 1183.06
    di(2-ethylhexyl) phthalate 617.65
    ethyl propionate 1194.62
    nitromethane 1386.13
    1,2-diethoxyethane 1964.6
    benzonitrile 1984.61
    trioctyl phosphate 480.19
    1-bromopropane 3120.74
    gamma-valerolactone 2353.62
    n-decanol 740.63
    triethyl phosphate 616.79
    4-methyl-2-pentanol 897.91
    propionitrile 2031.35
    vinylene carbonate 1522.85
    1,1,2-trichlorotrifluoroethane 1735.93
    DMS 813.41
    cumene 699.15
    2-octanol 915.22
    2-hexanone 1391.77
    octyl acetate 960.32
    limonene 1470.4
    1,2-dimethoxyethane 2148.76
    ethyl orthosilicate 657.65
    tributyl phosphate 606.13
    diacetone alcohol 942.73
    N,N-dimethylaniline 876.88
    acrylonitrile 1831.12
    aniline 1429.85
    1,3-propanediol 865.46
    bromobenzene 2819.71
    dibromomethane 5952.5
    1,1,2,2-tetrachloroethane 4204.91
    2-methyl-cyclohexyl acetate 1211.22
    tetrabutyl urea 707.24
    diisobutyl methanol 924.81
    2-phenylethanol 1302.04
    styrene 1240.56
    dioctyl adipate 973.9
    dimethyl sulfate 471.89
    ethyl butyrate 1758.72
    methyl lactate 458.27
    butyl lactate 906.86
    diethyl carbonate 1016.23
    propanediol butyl ether 873.01
    triethyl orthoformate 1210.8
    p-tert-butyltoluene 802.84
    methyl 4-tert-butylbenzoate 963.21
    morpholine 2731.7
    tert-butylamine 1698.69
    n-dodecanol 575.14
    dimethoxymethane 963.6
    ethylene carbonate 1509.89
    cyrene 655.82
    2-ethoxyethyl acetate 1263.02
    2-ethylhexyl acetate 1810.4
    1,2,4-trichlorobenzene 2250.08
    4-methylpyridine 2631.75
    dibutyl ether 2037.98
    2,6-dimethyl-4-heptanol 924.81
    DEF 1385.28
    dimethyl isosorbide 1483.84
    tetrachloroethylene 2967.31
    eugenol 852.48
    triacetin 1123.01
    span 80 1058.97
    1,4-butanediol 456.3
    1,1-dichloroethane 3640.85
    2-methyl-1-pentanol 1252.26
    methyl formate 532.43
    2-methyl-1-butanol 1564.37
    n-decane 541.55
    butyronitrile 2313.92
    3,7-dimethyl-1-octanol 1230.91
    1-chlorooctane 1294.58
    1-chlorotetradecane 510.05
    n-nonane 621.83
    undecane 371.96
    tert-butylcyclohexane 579.09
    cyclooctane 691.02
    cyclopentanol 2065.53
    tetrahydropyran 3597.64
    tert-amyl methyl ether 1481.81
    2,5,8-trioxanonane 1405.2
    1-hexene 2330.16
    2-isopropoxyethanol 961.31
    2,2,2-trifluoroethanol 375.13
    methyl butyrate 1583.18

    Scent© AI

1 3

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
Spearmint, scotch (USA) 1 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.1%
Micromeria congesta (Turkey) Micromeria congesta Boiss. et Hausskn. ex Boiss., fam. Lamiaceae (Labiat. 0.2%
Mentha longifolia (Lithuania) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.15%
Mentha spicata (Cuba) Chemotype Mentha spicata L., fam. Lamiaceae (Labiatae) 0.3%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.08%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%