Laurenobiolide

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  • Identifiers

    CAS number
    35001-25-3

    Molecular formula
    C17H22O4

    SMILES
    C/C/1=C\[C@@H](C2C(C/C(=C/CC1)/C)OC(=O)C2=C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 51.19%
    Mint 45.22%
    Herbal 42.52%
    Spicy 40.78%
    Green 33.41%
    Woody 32.9%
    Coumarinic 30.97%
    Tobacco 30.82%
    Hay 29.15%
    Floral 28.78%

     

    Flavor
    Bitter 48.05%
    Minty 31.93%
    Spice 24.78%
    Extremely sweet 20.21%
    Cotton candy 20.18%
    Seedy 20.16%
    Fenugreek 20.09%
    Leaves 20.09%
    Mint 20.05%
    Lovage 19.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.29 (neutral)

    Molecular weight
    290.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    440°C

    Flash point

    • 177.2 ˚C est.

  • Synonyms

    • Laurenobiolide
    • CHEBI:6390
    • Isotulipinolide
    • [(4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl] acetate
    • 35001-25-3
    • ((4S,5E,9E)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca(b)furan-4-yl) acetate
    • 6,10-Dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,7H,8H,11H,11ah-cyclodeca(b)furan-4-yl acetic acid
    • 6,10-Dimethyl-3-methylidene-2-oxo-2H,3H,3ah,4H,7H,8H,11H,11ah-cyclodeca[b]furan-4-yl acetic acid
    • RefChem:152497
    • Q27107190
    • 35001-25-3

  • Applications

    Laurenobiolide (CAS 35001-25-3) may be used as a fragrance-related ingredient and odorant in perfumery and cosmetics, potentially serving as a natural-product-derived fragrance component or fixative; it is often evaluated as an intermediate for the synthesis of sesquiterpene derivatives and related compounds; it may be employed as a fragrance additive in household products and cleaning formulations, coatings or inks, and in polymer or plastics formulations as a scent modifier; and in research contexts it can appear as a synthetic intermediate in pharmaceutical development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.07
    methanol 192.84
    isopropanol 93.22
    water 0.5
    ethyl acetate 130.11
    n-propanol 107.89
    acetone 215.37
    n-butanol 103.06
    acetonitrile 102.85
    DMF 531.24
    toluene 131.36
    isobutanol 94.78
    1,4-dioxane 374.02
    methyl acetate 154.08
    THF 600.1
    2-butanone 198.41
    n-pentanol 101.93
    sec-butanol 97.87
    n-hexane 2.63
    ethylene glycol 28.08
    NMP 638.3
    cyclohexane 8.73
    DMSO 339.48
    n-butyl acetate 112.95
    n-octanol 45.68
    chloroform 807.02
    n-propyl acetate 117.66
    acetic acid 241.8
    dichloromethane 621.04
    cyclohexanone 348.34
    propylene glycol 62.33
    isopropyl acetate 91.06
    DMAc 559.47
    2-ethoxyethanol 165.27
    isopentanol 109.64
    n-heptane 1.92
    ethyl formate 113.9
    1,2-dichloroethane 263.64
    n-hexanol 88.57
    2-methoxyethanol 232.36
    isobutyl acetate 100.54
    tetrachloromethane 43.06
    n-pentyl acetate 92.12
    transcutol 515.07
    n-heptanol 50.12
    ethylbenzene 70.15
    MIBK 98.02
    2-propoxyethanol 195.09
    tert-butanol 102.42
    MTBE 60.3
    2-butoxyethanol 126.02
    propionic acid 138.89
    o-xylene 78.6
    formic acid 112.58
    diethyl ether 60.05
    m-xylene 90.37
    p-xylene 105.1
    chlorobenzene 186.03
    dimethyl carbonate 114.71
    n-octane 1.31
    formamide 159.69
    cyclopentanone 433.18
    2-pentanone 132.98
    anisole 151.15
    cyclopentyl methyl ether 177.83
    gamma-butyrolactone 501.39
    1-methoxy-2-propanol 195.09
    pyridine 338.2
    3-pentanone 117.03
    furfural 417.61
    n-dodecane 1.9
    diethylene glycol 166.82
    diisopropyl ether 20.86
    tert-amyl alcohol 95.31
    acetylacetone 186.89
    n-hexadecane 2.29
    acetophenone 186.3
    methyl propionate 140.91
    isopentyl acetate 117.31
    trichloroethylene 692.25
    n-nonanol 44.87
    cyclohexanol 134.38
    benzyl alcohol 179.95
    2-ethylhexanol 54.6
    isooctanol 43.01
    dipropyl ether 38.48
    1,2-dichlorobenzene 164.89
    ethyl lactate 85.53
    propylene carbonate 283.0
    n-methylformamide 204.45
    2-pentanol 64.52
    n-pentane 2.45
    1-propoxy-2-propanol 124.14
    1-methoxy-2-propyl acetate 142.63
    2-(2-methoxypropoxy) propanol 154.57
    mesitylene 44.96
    ε-caprolactone 298.86
    p-cymene 35.5
    epichlorohydrin 498.99
    1,1,1-trichloroethane 189.7
    2-aminoethanol 72.41
    morpholine-4-carbaldehyde 538.15
    sulfolane 518.92
    2,2,4-trimethylpentane 3.24
    2-methyltetrahydrofuran 288.1
    n-hexyl acetate 122.1
    isooctane 2.38
    2-(2-butoxyethoxy)ethanol 187.54
    sec-butyl acetate 83.43
    tert-butyl acetate 91.64
    decalin 8.09
    glycerin 107.63
    diglyme 323.69
    acrylic acid 145.7
    isopropyl myristate 48.64
    n-butyric acid 168.44
    acetyl acetate 123.56
    di(2-ethylhexyl) phthalate 82.32
    ethyl propionate 91.87
    nitromethane 345.48
    1,2-diethoxyethane 124.71
    benzonitrile 180.72
    trioctyl phosphate 48.46
    1-bromopropane 100.96
    gamma-valerolactone 565.56
    n-decanol 32.9
    triethyl phosphate 62.9
    4-methyl-2-pentanol 50.57
    propionitrile 95.18
    vinylene carbonate 286.44
    1,1,2-trichlorotrifluoroethane 342.67
    DMS 140.77
    cumene 47.78
    2-octanol 33.25
    2-hexanone 125.09
    octyl acetate 66.06
    limonene 41.15
    1,2-dimethoxyethane 275.17
    ethyl orthosilicate 57.02
    tributyl phosphate 61.47
    diacetone alcohol 134.78
    N,N-dimethylaniline 114.6
    acrylonitrile 139.93
    aniline 179.89
    1,3-propanediol 113.73
    bromobenzene 180.39
    dibromomethane 327.11
    1,1,2,2-tetrachloroethane 488.5
    2-methyl-cyclohexyl acetate 107.12
    tetrabutyl urea 80.78
    diisobutyl methanol 29.37
    2-phenylethanol 141.45
    styrene 83.74
    dioctyl adipate 90.08
    dimethyl sulfate 190.52
    ethyl butyrate 83.72
    methyl lactate 117.04
    butyl lactate 96.32
    diethyl carbonate 73.03
    propanediol butyl ether 135.37
    triethyl orthoformate 69.58
    p-tert-butyltoluene 30.87
    methyl 4-tert-butylbenzoate 131.3
    morpholine 391.5
    tert-butylamine 42.92
    n-dodecanol 24.94
    dimethoxymethane 252.98
    ethylene carbonate 219.24
    cyrene 217.45
    2-ethoxyethyl acetate 146.12
    2-ethylhexyl acetate 95.67
    1,2,4-trichlorobenzene 236.0
    4-methylpyridine 347.09
    dibutyl ether 41.39
    2,6-dimethyl-4-heptanol 29.37
    DEF 185.89
    dimethyl isosorbide 270.98
    tetrachloroethylene 282.52
    eugenol 148.75
    triacetin 153.94
    span 80 127.84
    1,4-butanediol 67.22
    1,1-dichloroethane 240.15
    2-methyl-1-pentanol 114.28
    methyl formate 171.27
    2-methyl-1-butanol 109.47
    n-decane 2.97
    butyronitrile 96.3
    3,7-dimethyl-1-octanol 48.76
    1-chlorooctane 22.52
    1-chlorotetradecane 9.99
    n-nonane 2.22
    undecane 2.31
    tert-butylcyclohexane 5.93
    cyclooctane 2.76
    cyclopentanol 161.16
    tetrahydropyran 259.29
    tert-amyl methyl ether 57.55
    2,5,8-trioxanonane 237.46
    1-hexene 19.99
    2-isopropoxyethanol 126.64
    2,2,2-trifluoroethanol 94.78
    methyl butyrate 129.63

    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