Mollislactone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    88515-59-7

    Molecular formula
    C15H20O2

    SMILES
    C/C=C\1/C/2=C/CC/C=C(\CCCC2OC1=O)/C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 64.95%
    Spicy 55.71%
    Mint 54.75%
    Coconut 48.39%
    Celery 46.43%
    Coumarinic 46.01%
    Sweet 44.92%
    Tobacco 39.66%
    Lactonic 38.65%
    Hay 33.76%

     

    Flavor
    Herbal 36.6%
    Minty 36.22%
    Spice 31.28%
    Celery 26.68%
    Spicy 25.43%
    Mint 25.05%
    Lovage 21.66%
    Tonka 21.02%
    Basil 20.97%
    Coumarin 20.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.35 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point

    • 166.72 ˚C est.

  • Synonyms

    • Mollislactone
    • RefChem:159354
    • 88515-59-7
    • Cyclodeca(b)furan-2(3H)-one, 3-ethylidene-5,6,9,10,11,11a-hexahydro-8-methyl-
    • 3-Ethylidene-5,6,9,10,11,11a-hexahydro-8-methylcyclodeca(b)furan-2(3H)-one
    • (3Z,3aZ,7Z)-3-ethylidene-8-methyl-5,6,9,10,11,11a-hexahydrocyclodeca[b]furan-2-one
    • Cyclodeca[b]furan-2(3H)-one, 3-ethylidene-5,6,9,10,11,11a-hexahydro-8-methyl-
    • 88515-59-7

  • Applications

    Mollislactone (CAS 88515-59-7) is used primarily as a specialty fragrance ingredient and odorant in perfumery, where it can act as a scent component or fixative; it may be evaluated as an intermediate or solvent in organic synthesis for industrial manufacturing; in cosmetics/personal care and in household products it is considered for fragrance applications; in coatings/inks and in polymer/plastics processing it can function as a specialty additive or processing aid in select formulations; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 288.04
    methanol 281.43
    isopropanol 260.77
    water 0.08
    ethyl acetate 435.22
    n-propanol 303.92
    acetone 510.25
    n-butanol 311.46
    acetonitrile 288.97
    DMF 763.73
    toluene 465.04
    isobutanol 246.81
    1,4-dioxane 780.06
    methyl acetate 376.53
    THF 999.29
    2-butanone 485.53
    n-pentanol 212.41
    sec-butanol 228.99
    n-hexane 21.3
    ethylene glycol 40.89
    NMP 745.0
    cyclohexane 62.68
    DMSO 442.64
    n-butyl acetate 346.89
    n-octanol 94.58
    chloroform 1656.13
    n-propyl acetate 283.58
    acetic acid 217.71
    dichloromethane 1597.33
    cyclohexanone 848.27
    propylene glycol 60.45
    isopropyl acetate 343.72
    DMAc 535.12
    2-ethoxyethanol 255.86
    isopentanol 307.73
    n-heptane 13.36
    ethyl formate 247.11
    1,2-dichloroethane 1059.31
    n-hexanol 234.06
    2-methoxyethanol 402.23
    isobutyl acetate 239.5
    tetrachloromethane 162.13
    n-pentyl acetate 260.86
    transcutol 850.61
    n-heptanol 111.85
    ethylbenzene 171.28
    MIBK 321.85
    2-propoxyethanol 397.51
    tert-butanol 261.96
    MTBE 327.31
    2-butoxyethanol 226.78
    propionic acid 223.8
    o-xylene 194.76
    formic acid 53.25
    diethyl ether 414.21
    m-xylene 259.98
    p-xylene 196.38
    chlorobenzene 549.95
    dimethyl carbonate 198.18
    n-octane 9.87
    formamide 95.51
    cyclopentanone 884.14
    2-pentanone 452.16
    anisole 319.53
    cyclopentyl methyl ether 513.79
    gamma-butyrolactone 829.3
    1-methoxy-2-propanol 341.58
    pyridine 813.0
    3-pentanone 338.88
    furfural 584.53
    n-dodecane 12.39
    diethylene glycol 263.26
    diisopropyl ether 131.56
    tert-amyl alcohol 203.08
    acetylacetone 447.31
    n-hexadecane 15.04
    acetophenone 304.95
    methyl propionate 362.74
    isopentyl acetate 346.77
    trichloroethylene 1713.28
    n-nonanol 93.97
    cyclohexanol 360.65
    benzyl alcohol 270.75
    2-ethylhexanol 138.76
    isooctanol 104.87
    dipropyl ether 135.46
    1,2-dichlorobenzene 457.49
    ethyl lactate 131.39
    propylene carbonate 455.24
    n-methylformamide 276.15
    2-pentanol 209.36
    n-pentane 26.56
    1-propoxy-2-propanol 255.1
    1-methoxy-2-propyl acetate 351.76
    2-(2-methoxypropoxy) propanol 224.63
    mesitylene 154.35
    ε-caprolactone 651.04
    p-cymene 92.27
    epichlorohydrin 1087.89
    1,1,1-trichloroethane 685.85
    2-aminoethanol 101.56
    morpholine-4-carbaldehyde 651.7
    sulfolane 752.29
    2,2,4-trimethylpentane 20.82
    2-methyltetrahydrofuran 713.57
    n-hexyl acetate 313.55
    isooctane 19.32
    2-(2-butoxyethoxy)ethanol 305.14
    sec-butyl acetate 233.57
    tert-butyl acetate 333.12
    decalin 40.02
    glycerin 93.97
    diglyme 522.57
    acrylic acid 188.72
    isopropyl myristate 125.64
    n-butyric acid 394.25
    acetyl acetate 269.75
    di(2-ethylhexyl) phthalate 134.18
    ethyl propionate 249.07
    nitromethane 374.26
    1,2-diethoxyethane 331.87
    benzonitrile 409.46
    trioctyl phosphate 92.86
    1-bromopropane 532.24
    gamma-valerolactone 857.21
    n-decanol 72.82
    triethyl phosphate 119.21
    4-methyl-2-pentanol 146.74
    propionitrile 352.06
    vinylene carbonate 428.29
    1,1,2-trichlorotrifluoroethane 469.16
    DMS 292.27
    cumene 114.48
    2-octanol 87.27
    2-hexanone 270.0
    octyl acetate 155.59
    limonene 123.4
    1,2-dimethoxyethane 450.09
    ethyl orthosilicate 115.6
    tributyl phosphate 116.35
    diacetone alcohol 287.29
    N,N-dimethylaniline 198.59
    acrylonitrile 384.7
    aniline 401.43
    1,3-propanediol 201.96
    bromobenzene 651.27
    dibromomethane 1010.95
    1,1,2,2-tetrachloroethane 1152.41
    2-methyl-cyclohexyl acetate 203.16
    tetrabutyl urea 149.23
    diisobutyl methanol 90.13
    2-phenylethanol 259.71
    styrene 231.28
    dioctyl adipate 169.03
    dimethyl sulfate 265.83
    ethyl butyrate 205.99
    methyl lactate 157.79
    butyl lactate 169.95
    diethyl carbonate 156.23
    propanediol butyl ether 178.39
    triethyl orthoformate 155.45
    p-tert-butyltoluene 87.74
    methyl 4-tert-butylbenzoate 236.94
    morpholine 835.56
    tert-butylamine 166.46
    n-dodecanol 59.01
    dimethoxymethane 522.34
    ethylene carbonate 381.45
    cyrene 239.21
    2-ethoxyethyl acetate 348.92
    2-ethylhexyl acetate 275.68
    1,2,4-trichlorobenzene 519.19
    4-methylpyridine 771.79
    dibutyl ether 140.82
    2,6-dimethyl-4-heptanol 90.13
    DEF 480.92
    dimethyl isosorbide 390.38
    tetrachloroethylene 704.3
    eugenol 242.71
    triacetin 258.67
    span 80 188.06
    1,4-butanediol 90.4
    1,1-dichloroethane 886.54
    2-methyl-1-pentanol 221.81
    methyl formate 217.77
    2-methyl-1-butanol 272.18
    n-decane 17.78
    butyronitrile 389.49
    3,7-dimethyl-1-octanol 109.76
    1-chlorooctane 92.18
    1-chlorotetradecane 45.37
    n-nonane 14.96
    undecane 14.56
    tert-butylcyclohexane 31.93
    cyclooctane 20.01
    cyclopentanol 330.9
    tetrahydropyran 814.78
    tert-amyl methyl ether 215.13
    2,5,8-trioxanonane 348.96
    1-hexene 112.48
    2-isopropoxyethanol 204.02
    2,2,2-trifluoroethanol 87.49
    methyl butyrate 318.6

    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