CID 24721165

Overview IFRA Request a quote

  • Identifiers

    CAS number
    471-54-5

    Molecular formula
    C20H22O6

    SMILES
    C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5

    Safety labels

  • Odor profile

    Fragrance
    Odorless 36.49%
    Spicy 35.51%
    Sweet 32.03%
    Woody 31.22%
    Nutty 25.24%
    Coconut 24.64%
    Coumarinic 24.48%
    Lactonic 22.65%
    Vanilla 21.45%
    Burnt 20.11%

     

    Flavor
    Bitter 93.83%
    Cedarleaf 21.3%
    Sweet-like 20.38%
    Lovage 19.49%
    Ripe apricot 19.2%
    Red fruit 18.94%
    Parsley 18.86%
    Fenugreek 18.75%
    Bland 18.73%
    Naphthalic 18.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.19 (weak acid)

    Molecular weight
    358.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    773°C

    Flash point

    • 220.19 ˚C est.

  • Synonyms

    • ISOCOLUMBIN
    • 471-54-5
    • SCHEMBL29505956
    • AKOS037514699
    • FI65689
    • FS-9823
    • DA-64529
    • 471I545
    • (1S,2S,3S,5S,8S,11R,12S)-5-(3-furyl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
    • (1S,2S,3S,5S,8S,11R,12S)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
    • 471-54-5

  • Applications

    CID 24721165 (CAS 471-54-5) is regarded primarily as a solvent and processing aid in a range of industrial manufacturing processes; it is commonly evaluated as an intermediate in chemical synthesis, including the production of pharmaceuticals and agrochemicals; it may function as a solvent or additive for polymers and plastics, as a component or solvent in coatings and inks, and as a component in adhesives; in addition, it may be used as a cleaning solvent in electronics manufacturing and may be considered for cosmetic and personal care formulations subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.34
    methanol 18.04
    isopropanol 3.3
    water 0.05
    ethyl acetate 12.86
    n-propanol 4.66
    acetone 30.28
    n-butanol 3.98
    acetonitrile 12.56
    DMF 109.2
    toluene 11.67
    isobutanol 2.98
    1,4-dioxane 37.31
    methyl acetate 13.13
    THF 67.42
    2-butanone 19.36
    n-pentanol 2.68
    sec-butanol 1.75
    n-hexane 0.11
    ethylene glycol 5.58
    NMP 67.95
    cyclohexane 0.32
    DMSO 66.75
    n-butyl acetate 7.78
    n-octanol 2.04
    chloroform 34.32
    n-propyl acetate 7.27
    acetic acid 23.81
    dichloromethane 25.95
    cyclohexanone 40.94
    propylene glycol 3.25
    isopropyl acetate 9.96
    DMAc 68.91
    2-ethoxyethanol 17.13
    isopentanol 4.21
    n-heptane 0.16
    ethyl formate 9.03
    1,2-dichloroethane 15.97
    n-hexanol 4.29
    2-methoxyethanol 49.97
    isobutyl acetate 5.57
    tetrachloromethane 2.67
    n-pentyl acetate 8.29
    transcutol 33.63
    n-heptanol 3.93
    ethylbenzene 2.84
    MIBK 11.95
    2-propoxyethanol 34.51
    tert-butanol 3.64
    MTBE 2.03
    2-butoxyethanol 16.38
    propionic acid 9.48
    o-xylene 5.28
    formic acid 26.57
    diethyl ether 4.65
    m-xylene 6.85
    p-xylene 3.94
    chlorobenzene 11.84
    dimethyl carbonate 22.83
    n-octane 0.1
    formamide 43.83
    cyclopentanone 62.55
    2-pentanone 16.78
    anisole 7.34
    cyclopentyl methyl ether 13.68
    gamma-butyrolactone 62.28
    1-methoxy-2-propanol 32.52
    pyridine 37.48
    3-pentanone 13.91
    furfural 56.01
    n-dodecane 0.1
    diethylene glycol 40.12
    diisopropyl ether 1.49
    tert-amyl alcohol 1.99
    acetylacetone 32.54
    n-hexadecane 0.13
    acetophenone 13.57
    methyl propionate 18.76
    isopentyl acetate 8.31
    trichloroethylene 47.85
    n-nonanol 2.73
    cyclohexanol 4.73
    benzyl alcohol 11.3
    2-ethylhexanol 2.76
    isooctanol 3.66
    dipropyl ether 3.27
    1,2-dichlorobenzene 10.98
    ethyl lactate 9.06
    propylene carbonate 19.68
    n-methylformamide 46.92
    2-pentanol 2.01
    n-pentane 0.15
    1-propoxy-2-propanol 17.83
    1-methoxy-2-propyl acetate 20.39
    2-(2-methoxypropoxy) propanol 15.06
    mesitylene 3.44
    ε-caprolactone 24.59
    p-cymene 2.64
    epichlorohydrin 58.44
    1,1,1-trichloroethane 10.15
    2-aminoethanol 7.28
    morpholine-4-carbaldehyde 80.91
    sulfolane 75.85
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 12.82
    n-hexyl acetate 7.79
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 17.65
    sec-butyl acetate 4.89
    tert-butyl acetate 10.69
    decalin 0.23
    glycerin 16.26
    diglyme 36.27
    acrylic acid 16.34
    isopropyl myristate 3.56
    n-butyric acid 13.28
    acetyl acetate 14.64
    di(2-ethylhexyl) phthalate 7.12
    ethyl propionate 8.04
    nitromethane 67.08
    1,2-diethoxyethane 9.37
    benzonitrile 14.16
    trioctyl phosphate 4.48
    1-bromopropane 3.77
    gamma-valerolactone 98.99
    n-decanol 1.89
    triethyl phosphate 5.46
    4-methyl-2-pentanol 2.45
    propionitrile 11.3
    vinylene carbonate 26.15
    1,1,2-trichlorotrifluoroethane 46.0
    DMS 13.99
    cumene 1.84
    2-octanol 1.85
    2-hexanone 8.0
    octyl acetate 4.78
    limonene 2.86
    1,2-dimethoxyethane 27.78
    ethyl orthosilicate 4.87
    tributyl phosphate 4.26
    diacetone alcohol 19.21
    N,N-dimethylaniline 5.55
    acrylonitrile 23.58
    aniline 14.05
    1,3-propanediol 13.28
    bromobenzene 11.89
    dibromomethane 12.13
    1,1,2,2-tetrachloroethane 28.07
    2-methyl-cyclohexyl acetate 7.84
    tetrabutyl urea 7.41
    diisobutyl methanol 2.34
    2-phenylethanol 13.82
    styrene 3.58
    dioctyl adipate 6.87
    dimethyl sulfate 38.63
    ethyl butyrate 6.49
    methyl lactate 21.23
    butyl lactate 9.57
    diethyl carbonate 5.12
    propanediol butyl ether 10.97
    triethyl orthoformate 6.18
    p-tert-butyltoluene 2.54
    methyl 4-tert-butylbenzoate 16.31
    morpholine 35.84
    tert-butylamine 1.22
    n-dodecanol 1.3
    dimethoxymethane 69.77
    ethylene carbonate 20.05
    cyrene 26.26
    2-ethoxyethyl acetate 15.86
    2-ethylhexyl acetate 6.34
    1,2,4-trichlorobenzene 15.23
    4-methylpyridine 27.25
    dibutyl ether 2.0
    2,6-dimethyl-4-heptanol 2.34
    DEF 20.66
    dimethyl isosorbide 30.47
    tetrachloroethylene 20.7
    eugenol 17.4
    triacetin 15.59
    span 80 11.34
    1,4-butanediol 4.41
    1,1-dichloroethane 10.4
    2-methyl-1-pentanol 2.72
    methyl formate 39.36
    2-methyl-1-butanol 2.78
    n-decane 0.17
    butyronitrile 7.49
    3,7-dimethyl-1-octanol 2.61
    1-chlorooctane 1.07
    1-chlorotetradecane 0.49
    n-nonane 0.13
    undecane 0.13
    tert-butylcyclohexane 0.16
    cyclooctane 0.17
    cyclopentanol 6.38
    tetrahydropyran 12.69
    tert-amyl methyl ether 2.11
    2,5,8-trioxanonane 26.2
    1-hexene 0.56
    2-isopropoxyethanol 10.13
    2,2,2-trifluoroethanol 14.18
    methyl butyrate 9.49

    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