trideuteriomethyl (1R,2S,9R,14R,15S,17S)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

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  • Identifiers

    CAS number
    107724-20-9

    Molecular formula
    C24H30O6

    SMILES
    [2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@]34C1C5CC[C@]6([C@]5(C[C@@H]3O4)C)CCC(=O)O6)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Odorless 45.44%
    Woody 41.91%
    Balsamic 26.34%
    Cedar 24.93%
    Herbal 24.26%
    Fresh 23.92%
    Cooling 23.75%
    Spicy 22.77%
    Amber 22.1%
    Green 19.89%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    417.5 g/mol

    Flash point est.
    181.14 ˚C

    Solubility expt.

    • Very slightly soluble in water, with its solubility essentially pH dependent

  • Synonyms

    • 107724-20-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.97
    methanol 4.29
    isopropanol 3.2
    water 0.02
    ethyl acetate 16.01
    n-propanol 3.88
    acetone 25.03
    n-butanol 3.15
    acetonitrile 22.57
    DMF 26.47
    toluene 5.14
    isobutanol 2.41
    1,4-dioxane 28.77
    methyl acetate 16.21
    THF 38.81
    2-butanone 17.65
    n-pentanol 2.3
    sec-butanol 1.67
    n-hexane 0.08
    ethylene glycol 2.21
    NMP 34.06
    cyclohexane 0.31
    DMSO 33.34
    n-butyl acetate 6.74
    n-octanol 1.07
    chloroform 52.29
    n-propyl acetate 8.64
    acetic acid 28.29
    dichloromethane 34.03
    cyclohexanone 26.35
    propylene glycol 1.59
    isopropyl acetate 10.46
    DMAc 39.76
    2-ethoxyethanol 13.08
    isopentanol 2.9
    n-heptane 0.06
    ethyl formate 9.09
    1,2-dichloroethane 14.8
    n-hexanol 2.44
    2-methoxyethanol 19.65
    isobutyl acetate 5.89
    tetrachloromethane 3.65
    n-pentyl acetate 5.03
    transcutol 22.84
    n-heptanol 1.83
    ethylbenzene 1.97
    MIBK 8.1
    2-propoxyethanol 20.99
    tert-butanol 3.18
    MTBE 2.68
    2-butoxyethanol 11.42
    propionic acid 9.86
    o-xylene 2.36
    formic acid 11.74
    diethyl ether 4.97
    m-xylene 2.33
    p-xylene 2.74
    chlorobenzene 8.66
    dimethyl carbonate 14.82
    n-octane 0.03
    formamide 20.49
    cyclopentanone 34.81
    2-pentanone 11.76
    anisole 9.34
    cyclopentyl methyl ether 7.38
    gamma-butyrolactone 38.82
    1-methoxy-2-propanol 13.79
    pyridine 29.65
    3-pentanone 11.02
    furfural 37.93
    n-dodecane 0.04
    diethylene glycol 17.68
    diisopropyl ether 1.28
    tert-amyl alcohol 1.71
    acetylacetone 28.8
    n-hexadecane 0.05
    acetophenone 12.48
    methyl propionate 14.73
    isopentyl acetate 6.94
    trichloroethylene 48.33
    n-nonanol 1.47
    cyclohexanol 3.03
    benzyl alcohol 8.32
    2-ethylhexanol 1.37
    isooctanol 1.65
    dipropyl ether 2.21
    1,2-dichlorobenzene 8.97
    ethyl lactate 6.55
    propylene carbonate 16.72
    n-methylformamide 16.38
    2-pentanol 1.47
    n-pentane 0.08
    1-propoxy-2-propanol 8.88
    1-methoxy-2-propyl acetate 15.83
    2-(2-methoxypropoxy) propanol 10.98
    mesitylene 1.24
    ε-caprolactone 22.34
    p-cymene 1.1
    epichlorohydrin 43.1
    1,1,1-trichloroethane 14.81
    2-aminoethanol 3.64
    morpholine-4-carbaldehyde 45.41
    sulfolane 38.5
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 11.97
    n-hexyl acetate 5.61
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 13.13
    sec-butyl acetate 5.77
    tert-butyl acetate 9.2
    decalin 0.18
    glycerin 5.93
    diglyme 28.04
    acrylic acid 12.92
    isopropyl myristate 2.27
    n-butyric acid 13.66
    acetyl acetate 22.01
    di(2-ethylhexyl) phthalate 4.56
    ethyl propionate 9.45
    nitromethane 68.89
    1,2-diethoxyethane 5.42
    benzonitrile 11.8
    trioctyl phosphate 2.55
    1-bromopropane 3.99
    gamma-valerolactone 65.96
    n-decanol 0.95
    triethyl phosphate 4.84
    4-methyl-2-pentanol 1.4
    propionitrile 13.86
    vinylene carbonate 23.69
    1,1,2-trichlorotrifluoroethane 33.44
    DMS 10.87
    cumene 1.2
    2-octanol 0.78
    2-hexanone 8.28
    octyl acetate 3.05
    limonene 1.18
    1,2-dimethoxyethane 21.29
    ethyl orthosilicate 4.0
    tributyl phosphate 2.95
    diacetone alcohol 11.8
    N,N-dimethylaniline 4.91
    acrylonitrile 23.97
    aniline 9.06
    1,3-propanediol 8.04
    bromobenzene 8.51
    dibromomethane 16.63
    1,1,2,2-tetrachloroethane 27.56
    2-methyl-cyclohexyl acetate 6.78
    tetrabutyl urea 4.59
    diisobutyl methanol 1.01
    2-phenylethanol 9.46
    styrene 2.71
    dioctyl adipate 5.32
    dimethyl sulfate 21.74
    ethyl butyrate 6.29
    methyl lactate 10.66
    butyl lactate 5.77
    diethyl carbonate 5.84
    propanediol butyl ether 5.85
    triethyl orthoformate 5.34
    p-tert-butyltoluene 0.96
    methyl 4-tert-butylbenzoate 9.58
    morpholine 25.82
    tert-butylamine 1.16
    n-dodecanol 0.63
    dimethoxymethane 23.91
    ethylene carbonate 18.27
    cyrene 16.98
    2-ethoxyethyl acetate 11.3
    2-ethylhexyl acetate 5.09
    1,2,4-trichlorobenzene 14.65
    4-methylpyridine 19.19
    dibutyl ether 1.25
    2,6-dimethyl-4-heptanol 1.01
    DEF 13.26
    dimethyl isosorbide 20.01
    tetrachloroethylene 17.26
    eugenol 11.47
    triacetin 11.56
    span 80 7.46
    1,4-butanediol 2.91
    1,1-dichloroethane 11.93
    2-methyl-1-pentanol 2.02
    methyl formate 12.81
    2-methyl-1-butanol 2.05
    n-decane 0.08
    butyronitrile 8.68
    3,7-dimethyl-1-octanol 1.23
    1-chlorooctane 0.49
    1-chlorotetradecane 0.23
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.11
    cyclooctane 0.09
    cyclopentanol 4.19
    tetrahydropyran 12.74
    tert-amyl methyl ether 1.94
    2,5,8-trioxanonane 20.46
    1-hexene 0.49
    2-isopropoxyethanol 8.39
    2,2,2-trifluoroethanol 13.93
    methyl butyrate 10.49

    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