5-(Hex-1-EN-1-YL)-4-methyloxolan-2-one

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  • Identifiers

    CAS number
    188442-41-3

    Molecular formula
    C11H18O2

    SMILES
    CCCCC=CC1C(CC(=O)O1)C

  • Odor profile

    Fragrance
    Green 70.07%
    Lactonic 53.71%
    Jasmin 46.41%
    Fatty 44.59%
    Coconut 43.7%
    Fruity 41.85%
    Floral 41.33%
    Milky 40.23%
    Oily 40.1%
    Nutty 39.43%

     

    Flavor
    Herbal 46.31%
    Fresh 44.97%
    Waxy 38.12%
    Oily 37.66%
    Fatty 35.14%
    Floral 33.73%
    Green 30.31%
    Celery 29.54%
    Spicy 29.43%
    Fruity 29.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.01 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 109.79 ˚C est.

  • Synonyms

    • 188442-41-3
    • 5-(HEX-1-EN-1-YL)-4-METHYLOXOLAN-2-ONE
    • DTXSID20723789

  • Applications

    5-(Hex-1-EN-1-YL)-4-methyloxolan-2-one (CAS 188442-41-3) is typically used as an intermediate in fragrance chemistry, serving as a building block for odor-active lactone derivatives; in cosmetics and personal care it may function as a fragrance ingredient or formulation component; in flavor/aroma applications it may be evaluated for use as a fragrance or flavor compound; in industrial manufacturing it is used as an organic synthesis intermediate to access specialty chemicals; in polymers/plastics it may act as a lactone-derived monomer or functional precursor for specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2634.41
    methanol 2632.56
    isopropanol 2119.85
    water 0.29
    ethyl acetate 2032.5
    n-propanol 1838.64
    acetone 2882.25
    n-butanol 1818.36
    acetonitrile 1730.14
    DMF 2278.93
    toluene 732.11
    isobutanol 1562.84
    1,4-dioxane 2204.15
    methyl acetate 1458.34
    THF 3064.53
    2-butanone 1883.7
    n-pentanol 1193.37
    sec-butanol 1677.47
    n-hexane 186.55
    ethylene glycol 293.34
    NMP 1547.58
    cyclohexane 211.48
    DMSO 2444.15
    n-butyl acetate 1379.72
    n-octanol 427.03
    chloroform 4223.59
    n-propyl acetate 1066.51
    acetic acid 1505.58
    dichloromethane 3507.3
    cyclohexanone 2074.05
    propylene glycol 608.58
    isopropyl acetate 1496.97
    DMAc 1545.27
    2-ethoxyethanol 1155.93
    isopentanol 1782.57
    n-heptane 45.57
    ethyl formate 913.77
    1,2-dichloroethane 2287.81
    n-hexanol 1190.03
    2-methoxyethanol 1946.26
    isobutyl acetate 742.67
    tetrachloromethane 439.98
    n-pentyl acetate 654.06
    transcutol 4476.78
    n-heptanol 392.46
    ethylbenzene 364.63
    MIBK 1106.44
    2-propoxyethanol 1586.98
    tert-butanol 2285.26
    MTBE 2451.93
    2-butoxyethanol 689.64
    propionic acid 1126.09
    o-xylene 395.72
    formic acid 361.98
    diethyl ether 2199.47
    m-xylene 523.63
    p-xylene 452.42
    chlorobenzene 1088.62
    dimethyl carbonate 454.38
    n-octane 25.94
    formamide 535.0
    cyclopentanone 2106.73
    2-pentanone 1877.08
    anisole 851.97
    cyclopentyl methyl ether 1530.24
    gamma-butyrolactone 2122.96
    1-methoxy-2-propanol 1777.19
    pyridine 1744.63
    3-pentanone 1070.69
    furfural 1491.3
    n-dodecane 25.65
    diethylene glycol 1025.76
    diisopropyl ether 595.04
    tert-amyl alcohol 1700.19
    acetylacetone 1629.38
    n-hexadecane 30.7
    acetophenone 708.41
    methyl propionate 1238.74
    isopentyl acetate 1298.35
    trichloroethylene 3694.76
    n-nonanol 351.05
    cyclohexanol 1301.36
    benzyl alcohol 697.3
    2-ethylhexanol 592.97
    isooctanol 340.92
    dipropyl ether 553.73
    1,2-dichlorobenzene 886.46
    ethyl lactate 392.42
    propylene carbonate 1227.03
    n-methylformamide 975.67
    2-pentanol 1334.58
    n-pentane 138.71
    1-propoxy-2-propanol 1139.22
    1-methoxy-2-propyl acetate 1174.51
    2-(2-methoxypropoxy) propanol 757.07
    mesitylene 317.42
    ε-caprolactone 1709.45
    p-cymene 197.04
    epichlorohydrin 2543.39
    1,1,1-trichloroethane 1951.0
    2-aminoethanol 764.97
    morpholine-4-carbaldehyde 1520.6
    sulfolane 2009.33
    2,2,4-trimethylpentane 89.51
    2-methyltetrahydrofuran 2527.93
    n-hexyl acetate 981.68
    isooctane 84.15
    2-(2-butoxyethoxy)ethanol 1108.75
    sec-butyl acetate 832.45
    tert-butyl acetate 1346.88
    decalin 117.6
    glycerin 653.6
    diglyme 1663.15
    acrylic acid 844.96
    isopropyl myristate 307.79
    n-butyric acid 1942.58
    acetyl acetate 972.51
    di(2-ethylhexyl) phthalate 304.48
    ethyl propionate 853.9
    nitromethane 1880.79
    1,2-diethoxyethane 1355.08
    benzonitrile 927.4
    trioctyl phosphate 210.66
    1-bromopropane 1653.88
    gamma-valerolactone 2213.31
    n-decanol 245.69
    triethyl phosphate 251.16
    4-methyl-2-pentanol 703.43
    propionitrile 1314.57
    vinylene carbonate 1035.32
    1,1,2-trichlorotrifluoroethane 1548.41
    DMS 695.69
    cumene 265.78
    2-octanol 303.21
    2-hexanone 1121.67
    octyl acetate 396.83
    limonene 312.61
    1,2-dimethoxyethane 1830.54
    ethyl orthosilicate 259.28
    tributyl phosphate 290.5
    diacetone alcohol 1206.26
    N,N-dimethylaniline 482.34
    acrylonitrile 1288.37
    aniline 1027.52
    1,3-propanediol 1106.49
    bromobenzene 1247.1
    dibromomethane 2470.03
    1,1,2,2-tetrachloroethane 3109.61
    2-methyl-cyclohexyl acetate 519.76
    tetrabutyl urea 334.02
    diisobutyl methanol 301.08
    2-phenylethanol 705.48
    styrene 531.71
    dioctyl adipate 416.88
    dimethyl sulfate 603.43
    ethyl butyrate 675.42
    methyl lactate 563.05
    butyl lactate 497.23
    diethyl carbonate 423.9
    propanediol butyl ether 835.14
    triethyl orthoformate 408.29
    p-tert-butyltoluene 196.92
    methyl 4-tert-butylbenzoate 527.57
    morpholine 2916.05
    tert-butylamine 1408.81
    n-dodecanol 180.27
    dimethoxymethane 1454.52
    ethylene carbonate 942.95
    cyrene 527.35
    2-ethoxyethyl acetate 908.07
    2-ethylhexyl acetate 863.07
    1,2,4-trichlorobenzene 1043.45
    4-methylpyridine 1923.28
    dibutyl ether 570.57
    2,6-dimethyl-4-heptanol 301.08
    DEF 1572.34
    dimethyl isosorbide 969.89
    tetrachloroethylene 1668.65
    eugenol 561.25
    triacetin 762.18
    span 80 644.0
    1,4-butanediol 470.98
    1,1-dichloroethane 2681.16
    2-methyl-1-pentanol 1162.93
    methyl formate 685.8
    2-methyl-1-butanol 1505.35
    n-decane 44.47
    butyronitrile 1691.45
    3,7-dimethyl-1-octanol 488.48
    1-chlorooctane 274.49
    1-chlorotetradecane 102.85
    n-nonane 42.58
    undecane 32.69
    tert-butylcyclohexane 117.46
    cyclooctane 60.27
    cyclopentanol 1221.03
    tetrahydropyran 2663.67
    tert-amyl methyl ether 1266.67
    2,5,8-trioxanonane 1070.43
    1-hexene 874.98
    2-isopropoxyethanol 939.17
    2,2,2-trifluoroethanol 391.77
    methyl butyrate 1173.45

    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