Obtusilactone A

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  • Identifiers

    CAS number
    56522-15-7

    Molecular formula
    C19H32O3

    SMILES
    CCCCCCCCCCCCC/C=C\1/[C@@H](C(=C)OC1=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 53.12%
    Waxy 43.68%
    Oily 35.85%
    Lactonic 34.33%
    Milky 34.13%
    Dairy 30.99%
    Buttery 28.47%
    Creamy 27.58%
    Peach 26.2%
    Citrus 26.16%

     

    Flavor
    Herbal 33.65%
    Waxy 30.53%
    Fatty 26.35%
    Oily 23.73%
    Bland 22.59%
    Celery 22.4%
    Mild 21.68%
    Slightly waxy 21.31%
    Lovage 21.11%
    Outdoor 20.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    7.04 (neutral)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    431°C

    Flash point

    • 174.93 ˚C est.

  • Synonyms

    • Obtusilactone A
    • (3Z,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
    • RefChem:928088
    • (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
    • 56522-15-7
    • 2(3H)-furanone, dihydro-4-hydroxy-5-methylene-3-tetradecylidene-, (3Z,4S)-
    • (S)-4,5-Dihydro-4-hydroxy-5-methylene-3-[(Z)-tetradecan-1-ylidene]furan-2(3H)-one
    • (S)-4,5-Dihydro-4-hydroxy-5-methylene-3-((Z)-tetradecan-1-ylidene)furan-2(3H)-one
    • CHEMBL490165
    • SCHEMBL29836790
    • CHEBI:172537
    • DTXSID401154212
    • DB-290278
    • (3Z,4S)-4-hydroxy-5-methylene-3-tetradecylidene-tetrahydrofuran-2-one
    • (3Z,4S)-Dihydro-4-hydroxy-5-methylene-3-tetradecylidene-2(3H)-furanone
    • 56522-15-7

  • Applications

    Obtusilactone A (CAS 56522-15-7) is a natural lactone that may serve as a fragrance ingredient and odorant in perfumery; in cosmetics and personal care it can be used as a fragrance component or additive; in household products it may function as a scent additive; in industrial manufacturing it is evaluated as an intermediate in organic synthesis, supporting research in pharmaceuticals or agrochemicals; and in polymers, coatings and inks it may act as a specialty intermediate or formulation additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 651.0
    methanol 457.4
    isopropanol 649.93
    water 0.03
    ethyl acetate 1340.32
    n-propanol 725.28
    acetone 1592.45
    n-butanol 624.12
    acetonitrile 397.48
    DMF 1578.0
    toluene 460.97
    isobutanol 543.72
    1,4-dioxane 1036.95
    methyl acetate 888.86
    THF 2811.7
    2-butanone 1502.55
    n-pentanol 388.3
    sec-butanol 667.18
    n-hexane 50.23
    ethylene glycol 18.06
    NMP 1762.28
    cyclohexane 181.59
    DMSO 1218.41
    n-butyl acetate 959.41
    n-octanol 165.71
    chloroform 1599.98
    n-propyl acetate 994.17
    acetic acid 344.63
    dichloromethane 1763.31
    cyclohexanone 2371.14
    propylene glycol 78.81
    isopropyl acetate 1029.17
    DMAc 1642.81
    2-ethoxyethanol 568.32
    isopentanol 586.07
    n-heptane 26.52
    ethyl formate 460.44
    1,2-dichloroethane 1584.41
    n-hexanol 300.46
    2-methoxyethanol 716.35
    isobutyl acetate 606.73
    tetrachloromethane 292.18
    n-pentyl acetate 820.5
    transcutol 1720.78
    n-heptanol 187.18
    ethylbenzene 218.2
    MIBK 827.91
    2-propoxyethanol 609.54
    tert-butanol 717.43
    MTBE 1024.69
    2-butoxyethanol 460.03
    propionic acid 430.83
    o-xylene 290.71
    formic acid 55.83
    diethyl ether 1005.57
    m-xylene 305.78
    p-xylene 323.21
    chlorobenzene 698.61
    dimethyl carbonate 284.94
    n-octane 17.38
    formamide 161.63
    cyclopentanone 2458.08
    2-pentanone 1447.95
    anisole 475.29
    cyclopentyl methyl ether 1348.26
    gamma-butyrolactone 2025.49
    1-methoxy-2-propanol 728.65
    pyridine 1216.36
    3-pentanone 996.57
    furfural 990.78
    n-dodecane 13.22
    diethylene glycol 208.08
    diisopropyl ether 311.42
    tert-amyl alcohol 666.17
    acetylacetone 1265.34
    n-hexadecane 16.48
    acetophenone 559.51
    methyl propionate 940.12
    isopentyl acetate 858.2
    trichloroethylene 2364.35
    n-nonanol 162.29
    cyclohexanol 718.76
    benzyl alcohol 331.81
    2-ethylhexanol 227.36
    isooctanol 194.88
    dipropyl ether 367.85
    1,2-dichlorobenzene 638.79
    ethyl lactate 275.86
    propylene carbonate 1030.7
    n-methylformamide 514.39
    2-pentanol 504.47
    n-pentane 52.41
    1-propoxy-2-propanol 527.92
    1-methoxy-2-propyl acetate 825.92
    2-(2-methoxypropoxy) propanol 354.81
    mesitylene 194.51
    ε-caprolactone 1837.2
    p-cymene 127.69
    epichlorohydrin 2291.16
    1,1,1-trichloroethane 1441.96
    2-aminoethanol 112.93
    morpholine-4-carbaldehyde 1192.22
    sulfolane 2025.86
    2,2,4-trimethylpentane 43.04
    2-methyltetrahydrofuran 2114.01
    n-hexyl acetate 751.47
    isooctane 30.7
    2-(2-butoxyethoxy)ethanol 537.29
    sec-butyl acetate 722.24
    tert-butyl acetate 1050.87
    decalin 70.21
    glycerin 87.52
    diglyme 1121.55
    acrylic acid 231.39
    isopropyl myristate 222.46
    n-butyric acid 919.3
    acetyl acetate 586.23
    di(2-ethylhexyl) phthalate 167.45
    ethyl propionate 774.64
    nitromethane 885.84
    1,2-diethoxyethane 883.51
    benzonitrile 484.82
    trioctyl phosphate 129.76
    1-bromopropane 982.32
    gamma-valerolactone 2344.18
    n-decanol 108.57
    triethyl phosphate 222.68
    4-methyl-2-pentanol 274.5
    propionitrile 525.14
    vinylene carbonate 687.32
    1,1,2-trichlorotrifluoroethane 883.97
    DMS 495.12
    cumene 149.26
    2-octanol 169.75
    2-hexanone 834.22
    octyl acetate 277.63
    limonene 236.68
    1,2-dimethoxyethane 1071.16
    ethyl orthosilicate 224.05
    tributyl phosphate 185.98
    diacetone alcohol 833.01
    N,N-dimethylaniline 294.07
    acrylonitrile 494.9
    aniline 472.73
    1,3-propanediol 275.46
    bromobenzene 783.91
    dibromomethane 1171.85
    1,1,2,2-tetrachloroethane 2125.96
    2-methyl-cyclohexyl acetate 448.74
    tetrabutyl urea 263.71
    diisobutyl methanol 147.96
    2-phenylethanol 310.03
    styrene 280.06
    dioctyl adipate 312.29
    dimethyl sulfate 473.29
    ethyl butyrate 609.62
    methyl lactate 286.02
    butyl lactate 454.72
    diethyl carbonate 328.07
    propanediol butyl ether 320.65
    triethyl orthoformate 375.6
    p-tert-butyltoluene 122.58
    methyl 4-tert-butylbenzoate 458.96
    morpholine 1660.41
    tert-butylamine 413.5
    n-dodecanol 77.33
    dimethoxymethane 930.84
    ethylene carbonate 703.85
    cyrene 374.59
    2-ethoxyethyl acetate 918.94
    2-ethylhexyl acetate 653.26
    1,2,4-trichlorobenzene 744.81
    4-methylpyridine 1207.53
    dibutyl ether 373.56
    2,6-dimethyl-4-heptanol 147.96
    DEF 1412.99
    dimethyl isosorbide 707.67
    tetrachloroethylene 1182.75
    eugenol 360.03
    triacetin 595.56
    span 80 302.87
    1,4-butanediol 105.26
    1,1-dichloroethane 1521.83
    2-methyl-1-pentanol 388.31
    methyl formate 315.68
    2-methyl-1-butanol 551.21
    n-decane 26.34
    butyronitrile 678.65
    3,7-dimethyl-1-octanol 204.93
    1-chlorooctane 179.66
    1-chlorotetradecane 55.54
    n-nonane 23.47
    undecane 17.48
    tert-butylcyclohexane 49.95
    cyclooctane 41.54
    cyclopentanol 818.03
    tetrahydropyran 2000.95
    tert-amyl methyl ether 733.87
    2,5,8-trioxanonane 599.87
    1-hexene 260.75
    2-isopropoxyethanol 489.96
    2,2,2-trifluoroethanol 132.87
    methyl butyrate 1097.46

    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