Carissanol

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  • Identifiers

    CAS number
    87402-76-4

    Molecular formula
    C20H24O7

    SMILES
    COC1=C(C=CC(=C1)CC2COC(C2(CC3=CC(=C(C=C3)O)OC)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 68.41%
    Sweet 55.54%
    Spicy 43.55%
    Phenolic 41.95%
    Balsamic 40.93%
    Odorless 40.8%
    Creamy 36.81%
    Smoky 33.66%
    Powdery 31.83%
    Milky 27.55%

     

    Flavor
    Bitter 71.75%
    Bland 29.0%
    Odorless 26.47%
    Sweet 25.43%
    Sweet-like 24.63%
    Vanilla 23.56%
    Mild 22.49%
    Eugenol 22.48%
    Parsley 21.41%
    Allspice 21.19%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.21 (weak base)

    Molecular weight
    376.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1043°C

    Flash point

    • 239.43 ˚C est.

  • Synonyms

    • CARISSANOL
    • 87402-76-4
    • 3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol
    • DTXSID50321232
    • 4,4',8,9-Tetrahydroxy-3,3'-dimethoxy-9,9'-epoxylignan
    • 3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2,3-furandiol
    • Tetrahydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2,3-furandiol, 9CI
    • 3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)oxolane-2,3-diol
    • Tetrahydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-2,3-furandiol, 9ci
    • RefChem:123735
    • DTXCID70272353
    • LHQJDCXEZZAFKD-UHFFFAOYSA-N
    • 3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydrofuran-2,3-diol
    • NSC372204
    • CHEBI:172607
    • NSC 372204
    • NSC-372204
    • 3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydro-2,3-furandiol #
    • 87402-76-4

  • Applications

    Carissanol (CAS 87402-76-4) is used as an intermediate in chemical synthesis and can also serve as a solvent and processing aid in various industrial manufacturing processes. In perfumery and cosmetics, it may be employed as a fragrance ingredient and as a fixative or carrier for scent in certain formulations. In coatings and inks, it can function as a solvent to improve resin solubility and film formation. In cleaning formulations, it may act as a solvent or solubilizing aid for active ingredients. In polymer and plastics processing, it may serve as a processing aid or compatibility agent. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.78
    methanol 72.63
    isopropanol 28.54
    water 0.58
    ethyl acetate 13.5
    n-propanol 29.19
    acetone 72.89
    n-butanol 16.19
    acetonitrile 13.92
    DMF 101.93
    toluene 1.33
    isobutanol 9.18
    1,4-dioxane 58.78
    methyl acetate 13.47
    THF 236.85
    2-butanone 22.05
    n-pentanol 8.65
    sec-butanol 13.57
    n-hexane 0.13
    ethylene glycol 42.12
    NMP 24.6
    cyclohexane 0.3
    DMSO 774.78
    n-butyl acetate 2.88
    n-octanol 7.73
    chloroform 9.83
    n-propyl acetate 4.38
    acetic acid 94.98
    dichloromethane 8.76
    cyclohexanone 23.19
    propylene glycol 34.44
    isopropyl acetate 9.78
    DMAc 88.65
    2-ethoxyethanol 89.35
    isopentanol 9.47
    n-heptane 0.35
    ethyl formate 12.84
    1,2-dichloroethane 7.24
    n-hexanol 6.13
    2-methoxyethanol 183.69
    isobutyl acetate 2.34
    tetrachloromethane 1.32
    n-pentyl acetate 7.5
    transcutol 81.91
    n-heptanol 8.66
    ethylbenzene 0.81
    MIBK 11.11
    2-propoxyethanol 46.8
    tert-butanol 30.15
    MTBE 9.97
    2-butoxyethanol 28.57
    propionic acid 17.38
    o-xylene 1.33
    formic acid 84.69
    diethyl ether 12.71
    m-xylene 1.06
    p-xylene 0.91
    chlorobenzene 1.27
    dimethyl carbonate 19.74
    n-octane 0.42
    formamide 140.0
    cyclopentanone 54.05
    2-pentanone 20.2
    anisole 5.11
    cyclopentyl methyl ether 14.53
    gamma-butyrolactone 52.67
    1-methoxy-2-propanol 98.43
    pyridine 13.27
    3-pentanone 8.81
    furfural 29.18
    n-dodecane 0.37
    diethylene glycol 69.73
    diisopropyl ether 2.5
    tert-amyl alcohol 17.01
    acetylacetone 46.74
    n-hexadecane 0.41
    acetophenone 6.12
    methyl propionate 14.84
    isopentyl acetate 3.77
    trichloroethylene 14.51
    n-nonanol 8.34
    cyclohexanol 8.5
    benzyl alcohol 7.73
    2-ethylhexanol 2.75
    isooctanol 6.7
    dipropyl ether 5.21
    1,2-dichlorobenzene 1.64
    ethyl lactate 9.05
    propylene carbonate 12.42
    n-methylformamide 58.58
    2-pentanol 7.92
    n-pentane 0.19
    1-propoxy-2-propanol 22.09
    1-methoxy-2-propyl acetate 14.27
    2-(2-methoxypropoxy) propanol 23.76
    mesitylene 0.83
    ε-caprolactone 15.5
    p-cymene 1.08
    epichlorohydrin 59.4
    1,1,1-trichloroethane 4.35
    2-aminoethanol 50.48
    morpholine-4-carbaldehyde 57.74
    sulfolane 81.91
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 24.79
    n-hexyl acetate 8.56
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 37.09
    sec-butyl acetate 2.96
    tert-butyl acetate 14.12
    decalin 0.19
    glycerin 83.16
    diglyme 68.18
    acrylic acid 21.8
    isopropyl myristate 4.35
    n-butyric acid 19.96
    acetyl acetate 12.53
    di(2-ethylhexyl) phthalate 5.14
    ethyl propionate 5.14
    nitromethane 149.5
    1,2-diethoxyethane 17.18
    benzonitrile 3.69
    trioctyl phosphate 4.76
    1-bromopropane 2.2
    gamma-valerolactone 79.85
    n-decanol 5.97
    triethyl phosphate 3.57
    4-methyl-2-pentanol 5.33
    propionitrile 7.25
    vinylene carbonate 11.22
    1,1,2-trichlorotrifluoroethane 55.62
    DMS 9.42
    cumene 0.71
    2-octanol 5.91
    2-hexanone 6.26
    octyl acetate 6.07
    limonene 1.54
    1,2-dimethoxyethane 76.03
    ethyl orthosilicate 3.7
    tributyl phosphate 4.28
    diacetone alcohol 34.88
    N,N-dimethylaniline 4.06
    acrylonitrile 11.71
    aniline 4.73
    1,3-propanediol 75.75
    bromobenzene 0.97
    dibromomethane 4.19
    1,1,2,2-tetrachloroethane 12.76
    2-methyl-cyclohexyl acetate 3.86
    tetrabutyl urea 7.45
    diisobutyl methanol 3.14
    2-phenylethanol 6.49
    styrene 0.87
    dioctyl adipate 7.59
    dimethyl sulfate 36.72
    ethyl butyrate 3.32
    methyl lactate 25.76
    butyl lactate 9.98
    diethyl carbonate 2.9
    propanediol butyl ether 25.6
    triethyl orthoformate 4.44
    p-tert-butyltoluene 1.16
    methyl 4-tert-butylbenzoate 14.46
    morpholine 67.68
    tert-butylamine 7.2
    n-dodecanol 4.24
    dimethoxymethane 120.79
    ethylene carbonate 9.73
    cyrene 23.55
    2-ethoxyethyl acetate 16.71
    2-ethylhexyl acetate 2.14
    1,2,4-trichlorobenzene 2.46
    4-methylpyridine 6.59
    dibutyl ether 5.27
    2,6-dimethyl-4-heptanol 3.14
    DEF 19.27
    dimethyl isosorbide 30.3
    tetrachloroethylene 8.45
    eugenol 15.48
    triacetin 15.53
    span 80 17.61
    1,4-butanediol 22.8
    1,1-dichloroethane 4.34
    2-methyl-1-pentanol 5.38
    methyl formate 47.38
    2-methyl-1-butanol 7.42
    n-decane 0.7
    butyronitrile 6.09
    3,7-dimethyl-1-octanol 5.29
    1-chlorooctane 2.37
    1-chlorotetradecane 1.08
    n-nonane 0.57
    undecane 0.48
    tert-butylcyclohexane 0.17
    cyclooctane 0.18
    cyclopentanol 15.03
    tetrahydropyran 22.98
    tert-amyl methyl ether 7.32
    2,5,8-trioxanonane 52.71
    1-hexene 0.58
    2-isopropoxyethanol 35.65
    2,2,2-trifluoroethanol 35.56
    methyl butyrate 6.22

    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