6,7-Dihydro-1,5,8-trimethylnaphtho(2,1-b)furan

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  • Identifiers

    CAS number
    20013-75-6

    Molecular formula
    C15H16O

    SMILES
    CC1=CC2=C(CC1)C(=CC3=C2C(=CO3)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 42.8%
    Woody 40.93%
    Musk 39.71%
    Animal 33.66%
    Fruity 33.14%
    Spicy 32.78%
    Phenolic 32.11%
    Leathery 31.78%
    Dry 31.72%
    Powdery 31.51%

     

    Flavor
    Bitter 41.02%
    Very strong 22.13%
    Flat 21.85%
    Indole 21.77%
    Parsley 21.1%
    Soybean 21.04%
    Animal 20.95%
    Cereal 20.66%
    Ripe apricot 20.51%
    Eugenol 20.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.23 (weak base)

    Molecular weight
    212.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Melting point expt.

    • 76.5 - 77.5 °C

    Flash point

    • 159.66 ˚C est.

  • Synonyms

    • Pyrocurzerenone
    • 20013-75-6
    • 6,7-Dihydro-1,5,8-trimethylnaphtho[2,1-b]furan
    • ZQZ9QA2L5P
    • DTXSID701249090
    • 1,5,8-trimethyl-6,7-dihydrobenzo[e][1]benzofuran
    • 6,7-Dihydro-1,5,8-trimethylnaphtho(2,1-b)furan
    • 1,5,8-trimethyl-6,7-dihydrobenzo(e)(1)benzofuran
    • RefChem:1073580
    • DTXCID801679911
    • 1,5,8-TRIMETHYL-6H,7H-NAPHTHO[2,1-B]FURAN
    • Pyrocurzerenon
    • orb1681815
    • CHEBI:173606
    • MSK180469
    • AKOS040762254
    • FS-8724
    • FP156850
    • CS-0148859
    • 1,5,8-Trimethyl-6,7-dihydronaphtho[2,1-b]furan
    • 1,5,8-trimethyl-6,7-dihydrobenzo[e][1]benzouran
    • 1,5,8-trimethyl-6,7-dihydrobenzo[e][1]benzoxole
    • Naphtho[2,1-b]furan, 6,7-dihydro-1,5,8-trimethyl-
    • Q54805818
    • 6,7-Dihydro-1,5,8-trimethylnaphtho[2,1-b]-furan, 9CI
    • Pyrocurzerenone1,5,8-trimethyl-6,7-dihydrobenzo[e][1]benzofuran; 1,5,8-TRIMETHYL-6H,7H-NAPHTHO[2,1-B]FURAN; Pyrocurzerenon
    • 20013-75-6

  • Applications

    6,7-Dihydro-1,5,8-trimethylnaphtho(2,1-b)furan (CAS number: 20013-75-6) is viewed as a potential fragrance ingredient for the perfumery industry and may be used in cosmetics as a base aroma component; it is also evaluated as an organic synthesis intermediate for complex molecules and may serve as a precursor for dyes or pigments as well as a building block for specialty polymers or organic electronic materials in the field of materials science; in industrial manufacturing contexts it can function as an intermediate or feedstock for advanced formulations, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.99
    methanol 28.45
    isopropanol 47.63
    water 0.02
    ethyl acetate 158.64
    n-propanol 71.0
    acetone 182.53
    n-butanol 78.51
    acetonitrile 55.02
    DMF 298.38
    toluene 393.57
    isobutanol 67.3
    1,4-dioxane 422.78
    methyl acetate 175.76
    THF 630.52
    2-butanone 264.58
    n-pentanol 80.94
    sec-butanol 62.8
    n-hexane 29.53
    ethylene glycol 6.74
    NMP 330.02
    cyclohexane 63.87
    DMSO 88.47
    n-butyl acetate 239.25
    n-octanol 87.01
    chloroform 797.66
    n-propyl acetate 154.52
    acetic acid 41.16
    dichloromethane 722.72
    cyclohexanone 434.29
    propylene glycol 13.31
    isopropyl acetate 121.16
    DMAc 272.54
    2-ethoxyethanol 79.93
    isopentanol 83.09
    n-heptane 43.62
    ethyl formate 105.37
    1,2-dichloroethane 347.21
    n-hexanol 141.76
    2-methoxyethanol 89.06
    isobutyl acetate 158.42
    tetrachloromethane 108.46
    n-pentyl acetate 196.26
    transcutol 282.13
    n-heptanol 90.75
    ethylbenzene 208.72
    MIBK 140.91
    2-propoxyethanol 165.16
    tert-butanol 67.24
    MTBE 126.5
    2-butoxyethanol 115.96
    propionic acid 56.14
    o-xylene 192.2
    formic acid 6.47
    diethyl ether 138.49
    m-xylene 220.51
    p-xylene 273.48
    chlorobenzene 313.62
    dimethyl carbonate 79.13
    n-octane 25.41
    formamide 18.32
    cyclopentanone 484.52
    2-pentanone 197.42
    anisole 244.88
    cyclopentyl methyl ether 269.22
    gamma-butyrolactone 366.72
    1-methoxy-2-propanol 79.28
    pyridine 531.49
    3-pentanone 184.3
    furfural 296.02
    n-dodecane 23.5
    diethylene glycol 65.74
    diisopropyl ether 62.09
    tert-amyl alcohol 71.06
    acetylacetone 186.67
    n-hexadecane 28.13
    acetophenone 227.01
    methyl propionate 151.46
    isopentyl acetate 237.47
    trichloroethylene 779.47
    n-nonanol 91.31
    cyclohexanol 113.04
    benzyl alcohol 159.27
    2-ethylhexanol 128.99
    isooctanol 83.18
    dipropyl ether 149.51
    1,2-dichlorobenzene 251.9
    ethyl lactate 55.41
    propylene carbonate 195.21
    n-methylformamide 77.09
    2-pentanol 55.75
    n-pentane 22.87
    1-propoxy-2-propanol 120.68
    1-methoxy-2-propyl acetate 178.0
    2-(2-methoxypropoxy) propanol 137.43
    mesitylene 122.39
    ε-caprolactone 326.57
    p-cymene 131.0
    epichlorohydrin 470.14
    1,1,1-trichloroethane 337.3
    2-aminoethanol 19.46
    morpholine-4-carbaldehyde 318.6
    sulfolane 253.43
    2,2,4-trimethylpentane 18.77
    2-methyltetrahydrofuran 404.26
    n-hexyl acetate 243.39
    isooctane 15.53
    2-(2-butoxyethoxy)ethanol 161.99
    sec-butyl acetate 129.64
    tert-butyl acetate 131.54
    decalin 48.26
    glycerin 16.25
    diglyme 288.84
    acrylic acid 46.44
    isopropyl myristate 123.12
    n-butyric acid 97.42
    acetyl acetate 104.31
    di(2-ethylhexyl) phthalate 121.15
    ethyl propionate 129.67
    nitromethane 98.1
    1,2-diethoxyethane 214.12
    benzonitrile 223.46
    trioctyl phosphate 78.85
    1-bromopropane 247.83
    gamma-valerolactone 455.97
    n-decanol 75.57
    triethyl phosphate 84.4
    4-methyl-2-pentanol 48.06
    propionitrile 97.04
    vinylene carbonate 196.13
    1,1,2-trichlorotrifluoroethane 155.14
    DMS 184.19
    cumene 137.17
    2-octanol 73.66
    2-hexanone 183.71
    octyl acetate 147.62
    limonene 155.22
    1,2-dimethoxyethane 232.34
    ethyl orthosilicate 87.57
    tributyl phosphate 92.84
    diacetone alcohol 112.75
    N,N-dimethylaniline 187.21
    acrylonitrile 110.41
    aniline 196.14
    1,3-propanediol 36.16
    bromobenzene 407.92
    dibromomethane 468.99
    1,1,2,2-tetrachloroethane 499.95
    2-methyl-cyclohexyl acetate 187.9
    tetrabutyl urea 135.21
    diisobutyl methanol 69.73
    2-phenylethanol 210.1
    styrene 223.0
    dioctyl adipate 163.66
    dimethyl sulfate 91.52
    ethyl butyrate 166.16
    methyl lactate 41.12
    butyl lactate 100.91
    diethyl carbonate 112.53
    propanediol butyl ether 84.17
    triethyl orthoformate 118.91
    p-tert-butyltoluene 119.94
    methyl 4-tert-butylbenzoate 194.23
    morpholine 385.15
    tert-butylamine 55.99
    n-dodecanol 64.75
    dimethoxymethane 198.76
    ethylene carbonate 153.54
    cyrene 156.78
    2-ethoxyethyl acetate 237.1
    2-ethylhexyl acetate 218.16
    1,2,4-trichlorobenzene 309.61
    4-methylpyridine 499.88
    dibutyl ether 142.77
    2,6-dimethyl-4-heptanol 69.73
    DEF 212.54
    dimethyl isosorbide 280.16
    tetrachloroethylene 316.68
    eugenol 165.64
    triacetin 187.49
    span 80 133.01
    1,4-butanediol 23.67
    1,1-dichloroethane 308.0
    2-methyl-1-pentanol 102.7
    methyl formate 72.76
    2-methyl-1-butanol 83.47
    n-decane 35.55
    butyronitrile 115.69
    3,7-dimethyl-1-octanol 96.71
    1-chlorooctane 112.34
    1-chlorotetradecane 57.27
    n-nonane 32.98
    undecane 28.36
    tert-butylcyclohexane 41.19
    cyclooctane 29.41
    cyclopentanol 110.33
    tetrahydropyran 412.81
    tert-amyl methyl ether 111.27
    2,5,8-trioxanonane 207.8
    1-hexene 100.0
    2-isopropoxyethanol 84.35
    2,2,2-trifluoroethanol 16.54
    methyl butyrate 173.46

    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