CID 78074039

Overview IFRA Request a quote

  • Identifiers

    CAS number
    100665-41-6

    Molecular formula
    C30H42O7

    SMILES
    CC(CC(=O)C=C(C)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.82%
    Odorless 33.06%
    Dry 32.22%
    Cedar 29.71%
    Mint 28.84%
    Amber 26.4%
    Spicy 25.7%
    Tobacco 25.62%
    Sweet 25.43%
    Camphoreous 24.68%

     

    Flavor
    Bitter 83.19%
    Odorless 25.9%
    Bland 22.33%
    Cedarleaf 21.59%
    Sweet-like 20.65%
    Ripe apricot 19.98%
    Parsley 19.96%
    Heather 19.87%
    Leaves 19.79%
    Broom 19.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    4.44 (weak acid)

    Molecular weight
    514.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    418°C

    Flash point

    • 287.56 ˚C est.

  • Synonyms

    • Ganoderenic Acid B
    • 100665-41-6
    • 6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
    • SCHEMBL28164971
    • CHEBI:183521
    • DTXSID101316118
    • MSK169505
    • DA-53491
    • 3,7-Dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid
    • 100665-41-6

  • Applications

    CID 78074039, CAS 100665-41-6, is primarily used as a synthetic intermediate in chemical manufacturing, and may also function as a solvent or co-solvent in industrial formulations; it serves as a precursor in polymer and plastics synthesis; it finds application in coatings and inks as a processing aid or additive; it may be used as an intermediate in the synthesis of pharmaceuticals and agrochemicals; and it can appear in cleaning formulations as a degreasing solvent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.1
    methanol 51.06
    isopropanol 15.39
    water 0.04
    ethyl acetate 4.34
    n-propanol 22.06
    acetone 21.7
    n-butanol 9.83
    acetonitrile 6.0
    DMF 125.17
    toluene 1.37
    isobutanol 8.04
    1,4-dioxane 38.04
    methyl acetate 7.71
    THF 107.39
    2-butanone 13.74
    n-pentanol 6.48
    sec-butanol 5.33
    n-hexane 0.09
    ethylene glycol 8.21
    NMP 60.15
    cyclohexane 0.1
    DMSO 104.35
    n-butyl acetate 3.07
    n-octanol 1.48
    chloroform 17.87
    n-propyl acetate 3.47
    acetic acid 29.34
    dichloromethane 11.23
    cyclohexanone 18.38
    propylene glycol 11.11
    isopropyl acetate 2.73
    DMAc 69.45
    2-ethoxyethanol 32.29
    isopentanol 4.2
    n-heptane 0.04
    ethyl formate 5.94
    1,2-dichloroethane 6.26
    n-hexanol 4.22
    2-methoxyethanol 72.46
    isobutyl acetate 2.06
    tetrachloromethane 1.52
    n-pentyl acetate 3.44
    transcutol 17.15
    n-heptanol 2.79
    ethylbenzene 0.73
    MIBK 3.34
    2-propoxyethanol 37.51
    tert-butanol 6.54
    MTBE 2.05
    2-butoxyethanol 15.58
    propionic acid 9.23
    o-xylene 0.69
    formic acid 20.32
    diethyl ether 4.22
    m-xylene 0.69
    p-xylene 0.97
    chlorobenzene 2.07
    dimethyl carbonate 7.73
    n-octane 0.03
    formamide 26.8
    cyclopentanone 43.49
    2-pentanone 7.12
    anisole 3.41
    cyclopentyl methyl ether 7.19
    gamma-butyrolactone 39.4
    1-methoxy-2-propanol 39.12
    pyridine 21.06
    3-pentanone 4.79
    furfural 24.03
    n-dodecane 0.02
    diethylene glycol 32.08
    diisopropyl ether 0.43
    tert-amyl alcohol 3.28
    acetylacetone 9.08
    n-hexadecane 0.02
    acetophenone 4.3
    methyl propionate 7.57
    isopentyl acetate 2.62
    trichloroethylene 14.88
    n-nonanol 1.56
    cyclohexanol 3.06
    benzyl alcohol 6.72
    2-ethylhexanol 1.08
    isooctanol 1.66
    dipropyl ether 1.61
    1,2-dichlorobenzene 1.76
    ethyl lactate 3.93
    propylene carbonate 8.75
    n-methylformamide 47.5
    2-pentanol 2.23
    n-pentane 0.08
    1-propoxy-2-propanol 13.69
    1-methoxy-2-propyl acetate 7.09
    2-(2-methoxypropoxy) propanol 6.98
    mesitylene 0.34
    ε-caprolactone 13.5
    p-cymene 0.32
    epichlorohydrin 44.37
    1,1,1-trichloroethane 3.39
    2-aminoethanol 21.45
    morpholine-4-carbaldehyde 73.01
    sulfolane 50.9
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 15.48
    n-hexyl acetate 3.53
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 10.81
    sec-butyl acetate 1.6
    tert-butyl acetate 2.55
    decalin 0.06
    glycerin 20.19
    diglyme 20.7
    acrylic acid 11.25
    isopropyl myristate 0.72
    n-butyric acid 9.37
    acetyl acetate 3.2
    di(2-ethylhexyl) phthalate 2.21
    ethyl propionate 2.79
    nitromethane 39.6
    1,2-diethoxyethane 4.16
    benzonitrile 4.07
    trioctyl phosphate 1.32
    1-bromopropane 2.34
    gamma-valerolactone 79.76
    n-decanol 0.8
    triethyl phosphate 1.38
    4-methyl-2-pentanol 1.14
    propionitrile 5.59
    vinylene carbonate 10.36
    1,1,2-trichlorotrifluoroethane 30.83
    DMS 4.14
    cumene 0.44
    2-octanol 1.1
    2-hexanone 5.42
    octyl acetate 1.38
    limonene 0.39
    1,2-dimethoxyethane 36.25
    ethyl orthosilicate 1.26
    tributyl phosphate 1.16
    diacetone alcohol 7.3
    N,N-dimethylaniline 2.39
    acrylonitrile 9.24
    aniline 4.25
    1,3-propanediol 31.44
    bromobenzene 1.56
    dibromomethane 5.76
    1,1,2,2-tetrachloroethane 12.31
    2-methyl-cyclohexyl acetate 2.25
    tetrabutyl urea 2.24
    diisobutyl methanol 0.48
    2-phenylethanol 5.88
    styrene 0.85
    dioctyl adipate 1.91
    dimethyl sulfate 14.31
    ethyl butyrate 1.93
    methyl lactate 10.3
    butyl lactate 4.71
    diethyl carbonate 1.39
    propanediol butyl ether 11.46
    triethyl orthoformate 1.94
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 4.69
    morpholine 57.15
    tert-butylamine 1.39
    n-dodecanol 0.4
    dimethoxymethane 54.14
    ethylene carbonate 8.01
    cyrene 14.16
    2-ethoxyethyl acetate 7.45
    2-ethylhexyl acetate 1.78
    1,2,4-trichlorobenzene 2.9
    4-methylpyridine 11.09
    dibutyl ether 0.77
    2,6-dimethyl-4-heptanol 0.48
    DEF 10.44
    dimethyl isosorbide 12.27
    tetrachloroethylene 7.84
    eugenol 6.45
    triacetin 4.44
    span 80 6.17
    1,4-butanediol 11.06
    1,1-dichloroethane 4.87
    2-methyl-1-pentanol 3.03
    methyl formate 24.81
    2-methyl-1-butanol 4.1
    n-decane 0.05
    butyronitrile 4.5
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 0.35
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.03
    cyclopentanol 9.61
    tetrahydropyran 14.44
    tert-amyl methyl ether 1.48
    2,5,8-trioxanonane 11.52
    1-hexene 0.54
    2-isopropoxyethanol 12.14
    2,2,2-trifluoroethanol 9.07
    methyl butyrate 4.09

    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