Sorgolactone

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  • Identifiers

    CAS number
    141262-39-7

    Molecular formula
    C18H20O5

    SMILES
    C[C@H]1CCCC2=C1[C@@H]3[C@H](C2)/C(=C\O[C@H]4C=C(C(=O)O4)C)/C(=O)O3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.02%
    Spicy 36.11%
    Herbal 30.31%
    Coconut 29.52%
    Nutty 29.37%
    Coumarinic 29.29%
    Lactonic 29.26%
    Celery 27.99%
    Odorless 27.71%
    Mint 27.34%

     

    Flavor
    Bitter 87.94%
    Lovage 20.04%
    Cedarleaf 19.48%
    Sweet-like 18.64%
    Parsley 18.53%
    Ripe apricot 18.48%
    Bland 18.27%
    Red fruit 18.21%
    Basil 17.96%
    Nitrile 17.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.52 (weak acid)

    Molecular weight
    316.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    820°C

    Flash point

    • 230.82 ˚C est.

  • Synonyms

    • Sorgolactone
    • (+)-Sorgolactone
    • 141262-39-7
    • RH6QJZ6G3B
    • (3E,3aR,8S,8bS)-8-methyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
    • DTXSID80415113
    • 2H-Indeno(1,2-b)furan-2-one, 3-((((2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,5,6,7,8,8b-octahydro-8-methyl-, (3E,3aR,8S,8bS)-
    • (3E,3aR,8S,8bS)-8-methyl-3-(((2R)-4-methyl-5-oxo-2H-furan-2-yl)oxymethylene)-4,5,6,7,8,8b-hexahydro-3aH-indeno(1,2-b)furan-2-one
    • (3E,3aR,8S,8bS)-8-methyl-3-(((2R)-4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene)-4,5,6,7,8,8b-hexahydro-3aH-indeno(1,2-b)furan-2-one
    • (3E,3aR,8S,8bS)-8-methyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylene]-4,5,6,7,8,8b-hexahydro-3aH-indeno[1,2-b]furan-2-one
    • RefChem:931982
    • DTXCID00365964
    • (+/-)-sorgolactone
    • 188970-36-7
    • Sorgolactone [MI]
    • Z0IL7QT5MJ
    • Sorgolactone, (+/-)-
    • C09186
    • 2H-Indeno(1,2-b)furan-2-one, 3-((((2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3,3a,4,5,6,7,8,8b-octahydro-8-methyl-, (3E,3aR,8S,8bS)-rel-
    • AC1NQYEQ
    • UNII-RH6QJZ6G3B
    • UNII-Z0IL7QT5MJ
    • SureCN13857702
    • CHEBI:9205
    • CHEMBL2270920
    • SCHEMBL13857702
    • Q27108308
    • (3E,3aR,8S,8bS)-8-Methyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
    • 141262-39-7

  • Applications

    Sorgolactone (CAS 141262-39-7) is used primarily as an odorant in perfumery, serving as a fragrance ingredient and may function as a fixative to help retain scent in cosmetic and household formulations. It is evaluated for flavor/aroma roles in product development and is considered as a fragrance ingredient in cosmetics and personal care. In household products such as cleaners and air fresheners, it contributes to the scent profile. In industrial manufacturing, it can be an intermediate in fragrance chemistry or a building block for the synthesis of other aroma compounds, and it may be used in coatings and inks to impart scent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.63
    methanol 15.16
    isopropanol 10.98
    water 0.03
    ethyl acetate 89.75
    n-propanol 13.03
    acetone 83.16
    n-butanol 17.63
    acetonitrile 42.37
    DMF 138.96
    toluene 47.34
    isobutanol 11.44
    1,4-dioxane 120.17
    methyl acetate 77.73
    THF 211.22
    2-butanone 86.47
    n-pentanol 14.5
    sec-butanol 10.85
    n-hexane 0.28
    ethylene glycol 4.7
    NMP 175.9
    cyclohexane 0.8
    DMSO 84.86
    n-butyl acetate 48.9
    n-octanol 5.63
    chloroform 341.33
    n-propyl acetate 53.96
    acetic acid 83.1
    dichloromethane 300.93
    cyclohexanone 139.95
    propylene glycol 6.23
    isopropyl acetate 64.65
    DMAc 201.47
    2-ethoxyethanol 63.61
    isopentanol 22.97
    n-heptane 0.37
    ethyl formate 38.29
    1,2-dichloroethane 125.67
    n-hexanol 14.12
    2-methoxyethanol 97.1
    isobutyl acetate 42.9
    tetrachloromethane 13.12
    n-pentyl acetate 33.03
    transcutol 257.11
    n-heptanol 9.86
    ethylbenzene 13.14
    MIBK 52.71
    2-propoxyethanol 89.17
    tert-butanol 16.16
    MTBE 16.54
    2-butoxyethanol 49.99
    propionic acid 40.2
    o-xylene 20.55
    formic acid 34.4
    diethyl ether 20.63
    m-xylene 26.89
    p-xylene 20.86
    chlorobenzene 72.37
    dimethyl carbonate 72.16
    n-octane 0.22
    formamide 64.0
    cyclopentanone 176.76
    2-pentanone 75.77
    anisole 49.55
    cyclopentyl methyl ether 58.39
    gamma-butyrolactone 214.12
    1-methoxy-2-propanol 82.97
    pyridine 146.73
    3-pentanone 57.61
    furfural 194.54
    n-dodecane 0.38
    diethylene glycol 77.51
    diisopropyl ether 7.27
    tert-amyl alcohol 13.87
    acetylacetone 137.47
    n-hexadecane 0.48
    acetophenone 71.97
    methyl propionate 81.84
    isopentyl acetate 53.11
    trichloroethylene 407.58
    n-nonanol 7.62
    cyclohexanol 23.42
    benzyl alcohol 53.74
    2-ethylhexanol 10.86
    isooctanol 10.3
    dipropyl ether 11.16
    1,2-dichlorobenzene 69.0
    ethyl lactate 41.91
    propylene carbonate 113.91
    n-methylformamide 61.36
    2-pentanol 12.1
    n-pentane 0.31
    1-propoxy-2-propanol 51.5
    1-methoxy-2-propyl acetate 101.03
    2-(2-methoxypropoxy) propanol 67.75
    mesitylene 12.64
    ε-caprolactone 135.26
    p-cymene 9.57
    epichlorohydrin 285.06
    1,1,1-trichloroethane 85.83
    2-aminoethanol 10.7
    morpholine-4-carbaldehyde 215.09
    sulfolane 187.75
    2,2,4-trimethylpentane 0.5
    2-methyltetrahydrofuran 82.31
    n-hexyl acetate 35.88
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 84.1
    sec-butyl acetate 43.17
    tert-butyl acetate 65.13
    decalin 1.01
    glycerin 24.07
    diglyme 165.03
    acrylic acid 52.12
    isopropyl myristate 17.75
    n-butyric acid 71.54
    acetyl acetate 97.57
    di(2-ethylhexyl) phthalate 29.21
    ethyl propionate 48.47
    nitromethane 190.63
    1,2-diethoxyethane 56.67
    benzonitrile 67.97
    trioctyl phosphate 16.32
    1-bromopropane 28.36
    gamma-valerolactone 297.17
    n-decanol 6.13
    triethyl phosphate 28.93
    4-methyl-2-pentanol 12.65
    propionitrile 39.76
    vinylene carbonate 124.69
    1,1,2-trichlorotrifluoroethane 169.73
    DMS 74.3
    cumene 9.21
    2-octanol 5.6
    2-hexanone 48.19
    octyl acetate 22.15
    limonene 9.96
    1,2-dimethoxyethane 101.26
    ethyl orthosilicate 25.05
    tributyl phosphate 21.56
    diacetone alcohol 78.59
    N,N-dimethylaniline 28.56
    acrylonitrile 73.24
    aniline 62.93
    1,3-propanediol 29.06
    bromobenzene 79.81
    dibromomethane 120.09
    1,1,2,2-tetrachloroethane 226.81
    2-methyl-cyclohexyl acetate 43.19
    tetrabutyl urea 28.75
    diisobutyl methanol 8.53
    2-phenylethanol 50.86
    styrene 19.36
    dioctyl adipate 35.28
    dimethyl sulfate 106.26
    ethyl butyrate 39.91
    methyl lactate 60.69
    butyl lactate 36.44
    diethyl carbonate 34.52
    propanediol butyl ether 33.02
    triethyl orthoformate 32.36
    p-tert-butyltoluene 8.8
    methyl 4-tert-butylbenzoate 60.2
    morpholine 125.51
    tert-butylamine 5.85
    n-dodecanol 4.94
    dimethoxymethane 125.22
    ethylene carbonate 94.97
    cyrene 87.39
    2-ethoxyethyl acetate 77.55
    2-ethylhexyl acetate 38.79
    1,2,4-trichlorobenzene 99.73
    4-methylpyridine 134.73
    dibutyl ether 9.51
    2,6-dimethyl-4-heptanol 8.53
    DEF 84.73
    dimethyl isosorbide 129.34
    tetrachloroethylene 120.6
    eugenol 63.91
    triacetin 74.75
    span 80 43.42
    1,4-butanediol 12.26
    1,1-dichloroethane 96.38
    2-methyl-1-pentanol 19.14
    methyl formate 55.83
    2-methyl-1-butanol 17.49
    n-decane 0.5
    butyronitrile 35.67
    3,7-dimethyl-1-octanol 10.72
    1-chlorooctane 3.83
    1-chlorotetradecane 2.36
    n-nonane 0.34
    undecane 0.43
    tert-butylcyclohexane 0.78
    cyclooctane 0.39
    cyclopentanol 26.73
    tetrahydropyran 57.83
    tert-amyl methyl ether 15.08
    2,5,8-trioxanonane 118.6
    1-hexene 2.35
    2-isopropoxyethanol 49.15
    2,2,2-trifluoroethanol 41.88
    methyl butyrate 59.22

    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