CID 4482275

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  • Identifiers

    CAS number
    35796-71-5

    Molecular formula
    C26H30O8

    SMILES
    CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)C(CC4(C35C(O5)C(=O)OC4C6=COC=C6)C)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 38.14%
    Odorless 36.36%
    Spicy 33.67%
    Sweet 32.53%
    Mint 24.39%
    Tobacco 23.18%
    Nutty 20.6%
    Lactonic 19.52%
    Coumarinic 19.18%
    Herbal 19.12%

     

    Flavor
    Bitter 94.13%
    Cedarleaf 21.81%
    Ripe apricot 19.88%
    Sweet-like 19.72%
    Red fruit 19.51%
    Parsley 19.18%
    Lovage 19.17%
    Fenugreek 18.44%
    Naphthalic 18.27%
    Leaves 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    4.47 (weak acid)

    Molecular weight
    470.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    704°C

    Melting point expt.

    • 257 - 259 °C

    Flash point

    • 184.59 ˚C est.

  • Synonyms

    • 35796-71-5
    • 7-(Furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione
    • KBA79671
    • YAA88543
    • 35796-71-5

  • Applications

    CID 4482275 (CAS 35796-71-5) is typically used as an intermediate in organic synthesis and as a processing aid in various industrial formulations; it may function as a solvent or co-solvent in chemical processes; it may serve as a stabilizer or plasticizer in polymers and plastics; it may act as an additive in coatings and inks; and it can appear in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.8
    methanol 4.93
    isopropanol 0.6
    water 0.03
    ethyl acetate 5.03
    n-propanol 1.4
    acetone 16.25
    n-butanol 0.78
    acetonitrile 17.42
    DMF 31.27
    toluene 1.69
    isobutanol 0.81
    1,4-dioxane 12.59
    methyl acetate 9.8
    THF 21.96
    2-butanone 9.16
    n-pentanol 1.01
    sec-butanol 0.5
    n-hexane 0.03
    ethylene glycol 1.92
    NMP 54.17
    cyclohexane 0.08
    DMSO 51.53
    n-butyl acetate 3.02
    n-octanol 0.55
    chloroform 16.39
    n-propyl acetate 4.18
    acetic acid 20.62
    dichloromethane 15.63
    cyclohexanone 14.77
    propylene glycol 1.05
    isopropyl acetate 2.68
    DMAc 36.81
    2-ethoxyethanol 6.3
    isopentanol 0.7
    n-heptane 0.03
    ethyl formate 6.17
    1,2-dichloroethane 7.53
    n-hexanol 1.02
    2-methoxyethanol 9.09
    isobutyl acetate 2.47
    tetrachloromethane 1.34
    n-pentyl acetate 2.53
    transcutol 4.66
    n-heptanol 0.86
    ethylbenzene 0.69
    MIBK 2.84
    2-propoxyethanol 8.56
    tert-butanol 0.67
    MTBE 0.68
    2-butoxyethanol 4.85
    propionic acid 5.79
    o-xylene 0.88
    formic acid 14.07
    diethyl ether 1.25
    m-xylene 0.79
    p-xylene 1.12
    chlorobenzene 3.78
    dimethyl carbonate 8.54
    n-octane 0.01
    formamide 20.34
    cyclopentanone 28.31
    2-pentanone 4.81
    anisole 2.87
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 34.64
    1-methoxy-2-propanol 4.5
    pyridine 17.52
    3-pentanone 4.74
    furfural 30.36
    n-dodecane 0.02
    diethylene glycol 8.96
    diisopropyl ether 0.24
    tert-amyl alcohol 0.57
    acetylacetone 11.92
    n-hexadecane 0.02
    acetophenone 6.24
    methyl propionate 6.95
    isopentyl acetate 2.66
    trichloroethylene 22.32
    n-nonanol 0.69
    cyclohexanol 0.85
    benzyl alcohol 3.74
    2-ethylhexanol 0.65
    isooctanol 0.74
    dipropyl ether 0.83
    1,2-dichlorobenzene 3.61
    ethyl lactate 3.61
    propylene carbonate 11.7
    n-methylformamide 17.61
    2-pentanol 0.28
    n-pentane 0.02
    1-propoxy-2-propanol 3.61
    1-methoxy-2-propyl acetate 5.87
    2-(2-methoxypropoxy) propanol 4.83
    mesitylene 0.39
    ε-caprolactone 11.46
    p-cymene 0.51
    epichlorohydrin 28.56
    1,1,1-trichloroethane 5.02
    2-aminoethanol 2.59
    morpholine-4-carbaldehyde 32.24
    sulfolane 45.19
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.95
    n-hexyl acetate 2.52
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.74
    sec-butyl acetate 2.0
    tert-butyl acetate 2.59
    decalin 0.06
    glycerin 3.94
    diglyme 9.86
    acrylic acid 10.64
    isopropyl myristate 0.88
    n-butyric acid 4.69
    acetyl acetate 7.21
    di(2-ethylhexyl) phthalate 2.74
    ethyl propionate 3.6
    nitromethane 58.9
    1,2-diethoxyethane 1.76
    benzonitrile 6.63
    trioctyl phosphate 1.41
    1-bromopropane 1.54
    gamma-valerolactone 42.35
    n-decanol 0.44
    triethyl phosphate 2.1
    4-methyl-2-pentanol 0.32
    propionitrile 6.32
    vinylene carbonate 15.58
    1,1,2-trichlorotrifluoroethane 23.21
    DMS 4.71
    cumene 0.43
    2-octanol 0.34
    2-hexanone 4.42
    octyl acetate 1.54
    limonene 0.61
    1,2-dimethoxyethane 9.71
    ethyl orthosilicate 1.57
    tributyl phosphate 1.34
    diacetone alcohol 4.32
    N,N-dimethylaniline 1.9
    acrylonitrile 14.26
    aniline 2.91
    1,3-propanediol 2.76
    bromobenzene 3.38
    dibromomethane 6.82
    1,1,2,2-tetrachloroethane 11.52
    2-methyl-cyclohexyl acetate 3.36
    tetrabutyl urea 2.52
    diisobutyl methanol 0.31
    2-phenylethanol 4.64
    styrene 1.0
    dioctyl adipate 2.48
    dimethyl sulfate 16.64
    ethyl butyrate 2.59
    methyl lactate 6.67
    butyl lactate 2.66
    diethyl carbonate 2.49
    propanediol butyl ether 2.72
    triethyl orthoformate 2.02
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 4.72
    morpholine 11.37
    tert-butylamine 0.24
    n-dodecanol 0.28
    dimethoxymethane 12.82
    ethylene carbonate 10.7
    cyrene 12.64
    2-ethoxyethyl acetate 5.37
    2-ethylhexyl acetate 2.22
    1,2,4-trichlorobenzene 5.91
    4-methylpyridine 9.43
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.31
    DEF 7.0
    dimethyl isosorbide 10.81
    tetrachloroethylene 8.21
    eugenol 5.89
    triacetin 5.0
    span 80 3.65
    1,4-butanediol 1.76
    1,1-dichloroethane 4.31
    2-methyl-1-pentanol 0.91
    methyl formate 15.99
    2-methyl-1-butanol 0.68
    n-decane 0.03
    butyronitrile 3.6
    3,7-dimethyl-1-octanol 0.51
    1-chlorooctane 0.25
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.04
    cyclooctane 0.03
    cyclopentanol 1.93
    tetrahydropyran 3.98
    tert-amyl methyl ether 0.66
    2,5,8-trioxanonane 7.88
    1-hexene 0.2
    2-isopropoxyethanol 3.66
    2,2,2-trifluoroethanol 10.59
    methyl butyrate 4.58

    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