Cinncassiol B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    73599-13-0

    Molecular formula
    C20H32O8

    SMILES
    C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@]5([C@](C[C@@]3([C@]5([C@]2([C@@H]1O)O4)O)O)(C(C)CO)O)C)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.48%
    Woody 38.89%
    Sweet 37.24%
    Cooling 28.19%
    Balsamic 24.47%
    Camphoreous 23.64%
    Mint 22.13%
    Spicy 21.73%
    Earthy 21.19%
    Dry 19.83%

     

    Flavor
    Bitter 62.13%
    Sweet 42.77%
    Odorless 33.5%
    Fatty 28.95%
    Sweet-like 27.53%
    Patchouli 21.22%
    Cauliflower 21.04%
    Cedarleaf 20.89%
    Very slight 20.62%
    Soil 20.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.5

    pKa est.
    9.36 (weak base)

    Molecular weight
    400.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    455°C

    Flash point

    • 253.23 ˚C est.

  • Synonyms

    • Cinncassiol B
    • SCHEMBL29683493
    • CHEBI:138847
    • DTXSID301099245
    • C17648
    • 6,9-Methanobenzo[1,2]pentaleno[1,6-bc]furan-4,6,7,8a,8b,9a(6aH,9H)-hexol, hexahydro-7-(2-hydroxy-1-methylethyl)-3,6a,9-trimethyl-, (3S,4R,4aR,6S,6aS,7S,8aR,8bR,9R,9aS)-
    • 73599-13-0
    • 73599-13-0

  • Applications

    Primarily used as an odorant in fragrance and cosmetics, it is added to perfumes and personal care products to impart a distinctive scent. It can also serve as an intermediate in organic synthesis and is evaluated for applications in coatings and inks to add fragrance. Additionally, it may be considered for use in household cleaning products and in industrial manufacturing streams where aroma is desirable, subject to local regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.33
    methanol 93.27
    isopropanol 8.2
    water 4.79
    ethyl acetate 8.72
    n-propanol 10.03
    acetone 22.37
    n-butanol 8.53
    acetonitrile 6.45
    DMF 148.38
    toluene 2.82
    isobutanol 5.32
    1,4-dioxane 32.86
    methyl acetate 7.94
    THF 67.47
    2-butanone 11.55
    n-pentanol 6.72
    sec-butanol 3.54
    n-hexane 0.21
    ethylene glycol 34.9
    NMP 98.5
    cyclohexane 0.34
    DMSO 197.67
    n-butyl acetate 8.43
    n-octanol 3.0
    chloroform 11.95
    n-propyl acetate 6.27
    acetic acid 27.74
    dichloromethane 12.55
    cyclohexanone 28.3
    propylene glycol 15.9
    isopropyl acetate 7.09
    DMAc 62.45
    2-ethoxyethanol 34.15
    isopentanol 5.65
    n-heptane 0.27
    ethyl formate 14.56
    1,2-dichloroethane 9.35
    n-hexanol 7.84
    2-methoxyethanol 91.2
    isobutyl acetate 4.05
    tetrachloromethane 2.93
    n-pentyl acetate 7.93
    transcutol 14.34
    n-heptanol 6.19
    ethylbenzene 1.73
    MIBK 8.23
    2-propoxyethanol 47.51
    tert-butanol 6.17
    MTBE 1.69
    2-butoxyethanol 23.75
    propionic acid 10.49
    o-xylene 2.06
    formic acid 86.53
    diethyl ether 4.31
    m-xylene 2.59
    p-xylene 2.17
    chlorobenzene 3.97
    dimethyl carbonate 18.78
    n-octane 0.16
    formamide 92.89
    cyclopentanone 55.55
    2-pentanone 12.51
    anisole 4.05
    cyclopentyl methyl ether 11.63
    gamma-butyrolactone 66.31
    1-methoxy-2-propanol 52.57
    pyridine 19.32
    3-pentanone 7.38
    furfural 59.86
    n-dodecane 0.1
    diethylene glycol 73.16
    diisopropyl ether 1.12
    tert-amyl alcohol 2.81
    acetylacetone 24.99
    n-hexadecane 0.12
    acetophenone 9.42
    methyl propionate 12.38
    isopentyl acetate 6.91
    trichloroethylene 19.75
    n-nonanol 3.12
    cyclohexanol 5.91
    benzyl alcohol 9.77
    2-ethylhexanol 3.33
    isooctanol 4.14
    dipropyl ether 3.34
    1,2-dichlorobenzene 4.73
    ethyl lactate 10.77
    propylene carbonate 25.72
    n-methylformamide 73.09
    2-pentanol 3.26
    n-pentane 0.23
    1-propoxy-2-propanol 20.96
    1-methoxy-2-propyl acetate 19.61
    2-(2-methoxypropoxy) propanol 10.77
    mesitylene 1.69
    ε-caprolactone 22.4
    p-cymene 1.79
    epichlorohydrin 48.72
    1,1,1-trichloroethane 4.15
    2-aminoethanol 29.3
    morpholine-4-carbaldehyde 97.73
    sulfolane 121.84
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 13.59
    n-hexyl acetate 6.51
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 13.96
    sec-butyl acetate 3.59
    tert-butyl acetate 7.18
    decalin 0.25
    glycerin 63.16
    diglyme 27.8
    acrylic acid 18.77
    isopropyl myristate 2.4
    n-butyric acid 14.54
    acetyl acetate 9.42
    di(2-ethylhexyl) phthalate 5.63
    ethyl propionate 5.9
    nitromethane 66.7
    1,2-diethoxyethane 5.47
    benzonitrile 8.74
    trioctyl phosphate 4.94
    1-bromopropane 2.74
    gamma-valerolactone 103.34
    n-decanol 1.99
    triethyl phosphate 4.47
    4-methyl-2-pentanol 2.71
    propionitrile 5.25
    vinylene carbonate 28.67
    1,1,2-trichlorotrifluoroethane 62.56
    DMS 9.14
    cumene 1.33
    2-octanol 2.63
    2-hexanone 7.46
    octyl acetate 3.7
    limonene 2.11
    1,2-dimethoxyethane 34.39
    ethyl orthosilicate 3.55
    tributyl phosphate 3.9
    diacetone alcohol 17.31
    N,N-dimethylaniline 4.22
    acrylonitrile 11.91
    aniline 5.62
    1,3-propanediol 36.7
    bromobenzene 3.31
    dibromomethane 6.55
    1,1,2,2-tetrachloroethane 14.26
    2-methyl-cyclohexyl acetate 6.22
    tetrabutyl urea 6.89
    diisobutyl methanol 2.03
    2-phenylethanol 12.09
    styrene 1.58
    dioctyl adipate 4.6
    dimethyl sulfate 43.05
    ethyl butyrate 5.81
    methyl lactate 29.97
    butyl lactate 10.23
    diethyl carbonate 3.98
    propanediol butyl ether 14.82
    triethyl orthoformate 5.04
    p-tert-butyltoluene 1.68
    methyl 4-tert-butylbenzoate 12.23
    morpholine 36.69
    tert-butylamine 1.69
    n-dodecanol 1.28
    dimethoxymethane 78.32
    ethylene carbonate 22.39
    cyrene 34.43
    2-ethoxyethyl acetate 12.49
    2-ethylhexyl acetate 5.38
    1,2,4-trichlorobenzene 5.85
    4-methylpyridine 12.73
    dibutyl ether 1.42
    2,6-dimethyl-4-heptanol 2.03
    DEF 19.65
    dimethyl isosorbide 27.76
    tetrachloroethylene 13.42
    eugenol 14.8
    triacetin 9.47
    span 80 10.86
    1,4-butanediol 15.65
    1,1-dichloroethane 4.24
    2-methyl-1-pentanol 4.03
    methyl formate 60.72
    2-methyl-1-butanol 4.18
    n-decane 0.2
    butyronitrile 5.86
    3,7-dimethyl-1-octanol 2.29
    1-chlorooctane 1.02
    1-chlorotetradecane 0.36
    n-nonane 0.17
    undecane 0.14
    tert-butylcyclohexane 0.19
    cyclooctane 0.2
    cyclopentanol 11.61
    tetrahydropyran 10.94
    tert-amyl methyl ether 1.97
    2,5,8-trioxanonane 19.08
    1-hexene 0.84
    2-isopropoxyethanol 15.19
    2,2,2-trifluoroethanol 26.6
    methyl butyrate 8.5

    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