(5S)-5-propyloxolan-2-one

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  • Identifiers

    CAS number
    31323-51-0

    Molecular formula
    C7H12O2

    SMILES
    CCC[C@H]1CCC(=O)O1

  • Odor profile

    Fragrance
    Sweet 86.04%
    Coconut 83.83%
    Creamy 77.01%
    Coumarinic 73.11%
    Fatty 72.68%
    Lactonic 67.25%
    Buttery 62.01%
    Nutty 57.04%
    Milky 54.29%
    Dairy 53.69%

     

    Flavor
    Sweet 89.94%
    Coconut 79.67%
    Tonka 58.87%
    Creamy 57.14%
    Fatty 51.73%
    Caramel 51.35%
    Peach 49.13%
    Coumarin 48.52%
    Dairy 47.66%
    Nutty 43.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.33 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 75.38 ˚C est.

  • Synonyms

    • (5S)-5-propyloxolan-2-one
    • (s)-4-heptanolide standard for gc
    • 31323-51-0
    • (S)-5-propyldihydrofuran-2(3H)-one
    • AKOS006279064

  • Applications

    (5S)-5-propyloxoran-2-one (CAS 31323-51-0) is a chiral lactone used primarily as an intermediate in organic synthesis. In fragrance and flavor chemistry, it can serve as a fragrance ingredient or precursor for aroma compounds. In cosmetics and personal care, it may be employed as a scent component or odorant precursor in formulations. In industrial manufacturing, it is evaluated as a building block for synthesizing more complex chemicals and formulations. In polymer/plastics contexts, it can function as a precursor for specialty esters or lactone-derived building blocks in polymer syntheses. In pharmaceuticals, it is considered as a chiral intermediate for the preparation of active pharmaceutical ingredients or intermediates. Its exact applications depend on regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1986.45
    methanol 2364.69
    isopropanol 1611.22
    water 2.92
    ethyl acetate 1430.9
    n-propanol 1357.08
    acetone 2788.63
    n-butanol 1122.77
    acetonitrile 1970.34
    DMF 2264.55
    toluene 454.9
    isobutanol 1010.18
    1,4-dioxane 1913.44
    methyl acetate 1277.11
    THF 2892.4
    2-butanone 1559.66
    n-pentanol 733.33
    sec-butanol 1092.68
    n-hexane 79.95
    ethylene glycol 419.39
    NMP 2114.89
    cyclohexane 113.75
    DMSO 3019.79
    n-butyl acetate 810.76
    n-octanol 411.91
    chloroform 4104.06
    n-propyl acetate 691.49
    acetic acid 2133.73
    dichloromethane 3718.66
    cyclohexanone 2025.27
    propylene glycol 580.42
    isopropyl acetate 857.43
    DMAc 1389.51
    2-ethoxyethanol 894.13
    isopentanol 951.46
    n-heptane 42.68
    ethyl formate 858.0
    1,2-dichloroethane 1675.07
    n-hexanol 742.73
    2-methoxyethanol 1549.78
    isobutyl acetate 451.12
    tetrachloromethane 371.89
    n-pentyl acetate 518.49
    transcutol 3266.43
    n-heptanol 302.23
    ethylbenzene 248.5
    MIBK 695.12
    2-propoxyethanol 1187.24
    tert-butanol 1424.11
    MTBE 1077.06
    2-butoxyethanol 564.66
    propionic acid 1382.26
    o-xylene 290.03
    formic acid 601.59
    diethyl ether 987.09
    m-xylene 342.57
    p-xylene 331.19
    chlorobenzene 1020.69
    dimethyl carbonate 407.63
    n-octane 23.89
    formamide 782.29
    cyclopentanone 2476.25
    2-pentanone 1239.43
    anisole 655.47
    cyclopentyl methyl ether 1048.4
    gamma-butyrolactone 2868.54
    1-methoxy-2-propanol 1269.7
    pyridine 1675.48
    3-pentanone 764.0
    furfural 1923.4
    n-dodecane 28.22
    diethylene glycol 883.41
    diisopropyl ether 286.4
    tert-amyl alcohol 1019.91
    acetylacetone 1417.5
    n-hexadecane 32.53
    acetophenone 629.99
    methyl propionate 970.82
    isopentyl acetate 688.59
    trichloroethylene 3378.11
    n-nonanol 320.21
    cyclohexanol 923.63
    benzyl alcohol 558.7
    2-ethylhexanol 353.54
    isooctanol 253.43
    dipropyl ether 344.28
    1,2-dichlorobenzene 835.14
    ethyl lactate 316.25
    propylene carbonate 1308.54
    n-methylformamide 1262.05
    2-pentanol 736.16
    n-pentane 67.06
    1-propoxy-2-propanol 756.92
    1-methoxy-2-propyl acetate 724.38
    2-(2-methoxypropoxy) propanol 636.23
    mesitylene 210.73
    ε-caprolactone 1558.58
    p-cymene 154.21
    epichlorohydrin 2499.94
    1,1,1-trichloroethane 1568.07
    2-aminoethanol 774.03
    morpholine-4-carbaldehyde 1721.88
    sulfolane 2972.32
    2,2,4-trimethylpentane 50.91
    2-methyltetrahydrofuran 1919.55
    n-hexyl acetate 893.13
    isooctane 45.42
    2-(2-butoxyethoxy)ethanol 924.95
    sec-butyl acetate 483.09
    tert-butyl acetate 822.89
    decalin 71.03
    glycerin 703.33
    diglyme 1386.92
    acrylic acid 1186.79
    isopropyl myristate 271.04
    n-butyric acid 1648.96
    acetyl acetate 887.91
    di(2-ethylhexyl) phthalate 288.61
    ethyl propionate 562.69
    nitromethane 2911.43
    1,2-diethoxyethane 796.97
    benzonitrile 1009.37
    trioctyl phosphate 193.52
    1-bromopropane 1023.06
    gamma-valerolactone 2450.67
    n-decanol 222.29
    triethyl phosphate 198.03
    4-methyl-2-pentanol 377.76
    propionitrile 1209.54
    vinylene carbonate 1144.71
    1,1,2-trichlorotrifluoroethane 1381.69
    DMS 639.77
    cumene 182.31
    2-octanol 248.42
    2-hexanone 744.81
    octyl acetate 362.99
    limonene 237.51
    1,2-dimethoxyethane 1366.91
    ethyl orthosilicate 183.0
    tributyl phosphate 261.84
    diacetone alcohol 856.27
    N,N-dimethylaniline 369.75
    acrylonitrile 1589.25
    aniline 758.71
    1,3-propanediol 936.43
    bromobenzene 1123.88
    dibromomethane 2290.42
    1,1,2,2-tetrachloroethane 2411.22
    2-methyl-cyclohexyl acetate 382.61
    tetrabutyl urea 313.09
    diisobutyl methanol 205.46
    2-phenylethanol 547.15
    styrene 366.75
    dioctyl adipate 413.15
    dimethyl sulfate 687.69
    ethyl butyrate 445.05
    methyl lactate 495.7
    butyl lactate 418.81
    diethyl carbonate 301.66
    propanediol butyl ether 723.97
    triethyl orthoformate 275.54
    p-tert-butyltoluene 153.35
    methyl 4-tert-butylbenzoate 520.3
    morpholine 2121.55
    tert-butylamine 792.89
    n-dodecanol 158.89
    dimethoxymethane 1041.61
    ethylene carbonate 940.14
    cyrene 513.21
    2-ethoxyethyl acetate 719.49
    2-ethylhexyl acetate 466.92
    1,2,4-trichlorobenzene 994.37
    4-methylpyridine 1575.67
    dibutyl ether 418.92
    2,6-dimethyl-4-heptanol 205.46
    DEF 1133.17
    dimethyl isosorbide 945.95
    tetrachloroethylene 1386.47
    eugenol 521.22
    triacetin 763.27
    span 80 592.67
    1,4-butanediol 414.2
    1,1-dichloroethane 2160.85
    2-methyl-1-pentanol 648.93
    methyl formate 964.91
    2-methyl-1-butanol 834.09
    n-decane 45.33
    butyronitrile 1293.31
    3,7-dimethyl-1-octanol 389.26
    1-chlorooctane 243.56
    1-chlorotetradecane 89.43
    n-nonane 44.22
    undecane 34.29
    tert-butylcyclohexane 72.21
    cyclooctane 33.9
    cyclopentanol 1192.37
    tetrahydropyran 1788.15
    tert-amyl methyl ether 627.62
    2,5,8-trioxanonane 960.2
    1-hexene 376.74
    2-isopropoxyethanol 664.52
    2,2,2-trifluoroethanol 533.38
    methyl butyrate 823.34

    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