3-Octyloxolan-2-one

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  • Identifiers

    CAS number
    2983-20-2

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCCCC1CCOC1=O

  • Odor profile

    Fragrance
    Fruity 73.21%
    Fatty 72.06%
    Sweet 66.85%
    Waxy 66.04%
    Peach 61.76%
    Coconut 60.37%
    Creamy 58.92%
    Floral 58.27%
    Oily 55.81%
    Lactonic 53.18%

     

    Flavor
    Fatty 69.92%
    Waxy 69.76%
    Creamy 67.91%
    Coconut 62.2%
    Fruity 61.47%
    Peach 61.34%
    Oily 58.04%
    Sweet 57.71%
    Fat 38.88%
    Dairy 38.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.83 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 121.07 ˚C est.

  • Synonyms

    • 3-octyloxolan-2-one
    • 2983-20-2
    • 3-OCTYLDIHYDRO-2(3H)-FURANONE
    • SCHEMBL8999815
    • DTXSID40606469
    • AKOS006272266

  • Applications

    3-Octyloxolan-2-one (CAS 2983-20-2) is a five-member lactone bearing a long aliphatic octyloxy substituent at position 3; in real-world applications, the compound is viewed as an odor-active ingredient and may function as a fragrance component or fixative in perfumery; it may be used as a fragrance ingredient in cosmetics and personal care formulations; it is also considered for use in household products as a fragrance additive to impart or stabilize scent; it may serve as an intermediate in organic synthesis for the preparation of specialty polymers; and it may act as a processing aid or solvent in coatings and inks for specialized systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6445.14
    methanol 5682.02
    isopropanol 5863.28
    water 0.06
    ethyl acetate 9711.13
    n-propanol 5217.46
    acetone 10927.65
    n-butanol 4672.6
    acetonitrile 7695.79
    DMF 5133.18
    toluene 2362.49
    isobutanol 3778.64
    1,4-dioxane 6649.49
    methyl acetate 5644.65
    THF 9123.93
    2-butanone 7960.96
    n-pentanol 2884.89
    sec-butanol 4587.65
    n-hexane 580.05
    ethylene glycol 268.63
    NMP 3101.9
    cyclohexane 903.3
    DMSO 5686.28
    n-butyl acetate 5789.6
    n-octanol 893.58
    chloroform 11651.52
    n-propyl acetate 6170.46
    acetic acid 2765.82
    dichloromethane 11704.26
    cyclohexanone 8977.75
    propylene glycol 700.52
    isopropyl acetate 6142.73
    DMAc 3270.17
    2-ethoxyethanol 3430.22
    isopentanol 4180.88
    n-heptane 191.91
    ethyl formate 3684.55
    1,2-dichloroethane 7811.23
    n-hexanol 2304.94
    2-methoxyethanol 5174.01
    isobutyl acetate 3238.61
    tetrachloromethane 1480.79
    n-pentyl acetate 2839.29
    transcutol 10261.94
    n-heptanol 922.21
    ethylbenzene 1121.41
    MIBK 3780.96
    2-propoxyethanol 3731.56
    tert-butanol 5683.77
    MTBE 7641.06
    2-butoxyethanol 2069.82
    propionic acid 2814.42
    o-xylene 1051.17
    formic acid 472.99
    diethyl ether 8659.38
    m-xylene 1309.55
    p-xylene 1413.1
    chlorobenzene 3464.17
    dimethyl carbonate 1085.51
    n-octane 85.62
    formamide 1052.45
    cyclopentanone 7190.0
    2-pentanone 7755.42
    anisole 2427.39
    cyclopentyl methyl ether 4821.52
    gamma-butyrolactone 6735.79
    1-methoxy-2-propanol 4381.66
    pyridine 6989.71
    3-pentanone 4108.64
    furfural 4301.8
    n-dodecane 63.24
    diethylene glycol 1582.42
    diisopropyl ether 1952.72
    tert-amyl alcohol 4196.91
    acetylacetone 5650.48
    n-hexadecane 79.5
    acetophenone 2058.59
    methyl propionate 4561.61
    isopentyl acetate 4574.92
    trichloroethylene 11503.27
    n-nonanol 759.74
    cyclohexanol 3688.69
    benzyl alcohol 1694.52
    2-ethylhexanol 1387.93
    isooctanol 851.76
    dipropyl ether 2347.53
    1,2-dichlorobenzene 2759.49
    ethyl lactate 1112.22
    propylene carbonate 3616.7
    n-methylformamide 2840.7
    2-pentanol 3486.78
    n-pentane 406.26
    1-propoxy-2-propanol 3059.04
    1-methoxy-2-propyl acetate 3674.46
    2-(2-methoxypropoxy) propanol 1504.86
    mesitylene 833.47
    ε-caprolactone 6653.0
    p-cymene 525.0
    epichlorohydrin 8393.84
    1,1,1-trichloroethane 7129.87
    2-aminoethanol 1150.67
    morpholine-4-carbaldehyde 3919.25
    sulfolane 5244.27
    2,2,4-trimethylpentane 198.12
    2-methyltetrahydrofuran 8264.17
    n-hexyl acetate 3088.48
    isooctane 191.67
    2-(2-butoxyethoxy)ethanol 2291.73
    sec-butyl acetate 3863.26
    tert-butyl acetate 4761.39
    decalin 339.67
    glycerin 705.69
    diglyme 4641.51
    acrylic acid 1552.54
    isopropyl myristate 908.82
    n-butyric acid 6057.83
    acetyl acetate 3556.57
    di(2-ethylhexyl) phthalate 627.74
    ethyl propionate 4181.19
    nitromethane 5767.01
    1,2-diethoxyethane 5066.57
    benzonitrile 3055.77
    trioctyl phosphate 460.93
    1-bromopropane 5784.61
    gamma-valerolactone 7798.48
    n-decanol 507.22
    triethyl phosphate 749.45
    4-methyl-2-pentanol 1593.13
    propionitrile 6061.3
    vinylene carbonate 2985.82
    1,1,2-trichlorotrifluoroethane 3626.35
    DMS 1862.33
    cumene 676.03
    2-octanol 746.01
    2-hexanone 4821.4
    octyl acetate 1052.76
    limonene 919.35
    1,2-dimethoxyethane 6590.11
    ethyl orthosilicate 759.65
    tributyl phosphate 686.51
    diacetone alcohol 3134.16
    N,N-dimethylaniline 1168.85
    acrylonitrile 5406.95
    aniline 2775.22
    1,3-propanediol 2144.75
    bromobenzene 3959.62
    dibromomethane 8118.85
    1,1,2,2-tetrachloroethane 8624.25
    2-methyl-cyclohexyl acetate 1571.58
    tetrabutyl urea 772.79
    diisobutyl methanol 790.19
    2-phenylethanol 1564.77
    styrene 1804.4
    dioctyl adipate 1153.06
    dimethyl sulfate 1302.15
    ethyl butyrate 3067.16
    methyl lactate 1203.05
    butyl lactate 1538.57
    diethyl carbonate 1631.82
    propanediol butyl ether 1479.34
    triethyl orthoformate 1602.65
    p-tert-butyltoluene 508.27
    methyl 4-tert-butylbenzoate 1305.73
    morpholine 10224.27
    tert-butylamine 3517.87
    n-dodecanol 358.3
    dimethoxymethane 4169.66
    ethylene carbonate 3120.98
    cyrene 1000.29
    2-ethoxyethyl acetate 3285.71
    2-ethylhexyl acetate 3019.7
    1,2,4-trichlorobenzene 2916.38
    4-methylpyridine 6579.02
    dibutyl ether 2294.88
    2,6-dimethyl-4-heptanol 790.19
    DEF 5801.24
    dimethyl isosorbide 2236.03
    tetrachloroethylene 5134.83
    eugenol 1195.18
    triacetin 2003.53
    span 80 1284.69
    1,4-butanediol 773.57
    1,1-dichloroethane 9488.9
    2-methyl-1-pentanol 2478.46
    methyl formate 1733.98
    2-methyl-1-butanol 3491.66
    n-decane 129.3
    butyronitrile 6892.68
    3,7-dimethyl-1-octanol 1090.04
    1-chlorooctane 772.24
    1-chlorotetradecane 245.78
    n-nonane 127.59
    undecane 85.99
    tert-butylcyclohexane 299.24
    cyclooctane 223.87
    cyclopentanol 3374.25
    tetrahydropyran 10240.8
    tert-amyl methyl ether 3781.19
    2,5,8-trioxanonane 2414.4
    1-hexene 2921.43
    2-isopropoxyethanol 2669.45
    2,2,2-trifluoroethanol 652.34
    methyl butyrate 6402.18

    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