6-Ethyl-1,3,4,6,7,8-hexahydro-4,6,8,8-tetramethylcyclopenta(g)-2-benzopyran

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  • Identifiers

    CAS number
    78448-48-3

    Molecular formula
    C18H26O

    SMILES
    CCC1(CC(C2=C1C=C3C(COCC3=C2)C)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Musk 63.5%
    Sweet 46.01%
    Amber 43.27%
    Powdery 40.79%
    Woody 40.6%
    Floral 39.27%
    Animal 35.72%
    Dry 34.48%
    Fruity 32.93%
    Spicy 28.41%

     

    Flavor
    Woody 56.45%
    Camphor 42.31%
    Earthy 38.27%
    Earth 32.21%
    Musty 31.64%
    Spicy 30.67%
    Spice 30.06%
    Wood 29.63%
    Herbal 25.58%
    Pine 24.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    6.8 (neutral)

    Molecular weight
    258.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 153.92 ˚C est.

  • Synonyms

    • 78448-48-3
    • EINECS 278-912-5
    • 6-ETHYL-1,3,4,6,7,8-HEXAHYDRO-4,6,8,8-TETRAMETHYLCYCLOPENTA[G]-2-BENZOPYRAN
    • 6-Ethyl-1,3,4,6,7,8-hexahydro-4,6,8,8-tetramethylcyclopenta(g)-2-benzopyran
    • RefChem:104601
    • 278-912-5
    • 6-Ethyl-4,6,8,8-tetramethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene
    • SCHEMBL3944044
    • DTXSID90999777
    • QHYRRSDBBBZQKI-UHFFFAOYSA-N
    • NS00059439
    • 6-Ethyl-4,6,8,8-tetramethyl-1,3,4,6,7,8-hexahydroindeno[5,6-c]pyran
    • 78448-48-3

  • Applications

    For the compound 6-Ethyl-1,3,4,6,7,8-hexahydro-4,6,8,8-tetramethylcyclopenta(g)-2-benzopyran (CAS 78448-48-3), practical applications span fragrance and personal care: it can serve as a fragrance ingredient (odorant) in perfumes and cosmetic formulations; it can function as a fragrance fixative to improve scent persistence in products; it is used as an intermediate in the synthesis of specialized aroma compounds; it may be included in household and cleaning products such as detergents and air fresheners to impart or stabilize fragrance; and it can be considered as a chemical intermediate for broader fragrance chemistry and derivative development, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 680.55
    methanol 401.03
    isopropanol 568.48
    water 0.73
    ethyl acetate 1441.59
    n-propanol 819.39
    acetone 1362.01
    n-butanol 873.18
    acetonitrile 907.89
    DMF 1510.78
    toluene 1860.45
    isobutanol 679.06
    1,4-dioxane 2772.79
    methyl acetate 1167.19
    THF 2898.98
    2-butanone 1305.8
    n-pentanol 485.86
    sec-butanol 434.45
    n-hexane 199.79
    ethylene glycol 76.61
    NMP 1127.66
    cyclohexane 561.34
    DMSO 427.0
    n-butyl acetate 1405.73
    n-octanol 317.0
    chloroform 3474.02
    n-propyl acetate 874.64
    acetic acid 427.21
    dichloromethane 2958.14
    cyclohexanone 2293.87
    propylene glycol 107.73
    isopropyl acetate 1104.44
    DMAc 1054.11
    2-ethoxyethanol 654.91
    isopentanol 803.35
    n-heptane 165.23
    ethyl formate 772.74
    1,2-dichloroethane 2136.49
    n-hexanol 851.49
    2-methoxyethanol 949.33
    isobutyl acetate 792.96
    tetrachloromethane 745.1
    n-pentyl acetate 867.56
    transcutol 1835.36
    n-heptanol 416.75
    ethylbenzene 681.36
    MIBK 898.75
    2-propoxyethanol 1229.9
    tert-butanol 568.29
    MTBE 1260.78
    2-butoxyethanol 712.88
    propionic acid 488.84
    o-xylene 771.59
    formic acid 98.47
    diethyl ether 1708.81
    m-xylene 1051.41
    p-xylene 851.69
    chlorobenzene 1656.75
    dimethyl carbonate 604.24
    n-octane 68.12
    formamide 182.15
    cyclopentanone 2007.26
    2-pentanone 1258.53
    anisole 930.99
    cyclopentyl methyl ether 1697.37
    gamma-butyrolactone 1809.9
    1-methoxy-2-propanol 695.24
    pyridine 2111.97
    3-pentanone 1090.09
    furfural 1482.95
    n-dodecane 43.56
    diethylene glycol 547.99
    diisopropyl ether 598.22
    tert-amyl alcohol 405.6
    acetylacetone 1228.01
    n-hexadecane 55.01
    acetophenone 806.73
    methyl propionate 1124.58
    isopentyl acetate 1376.78
    trichloroethylene 3493.06
    n-nonanol 300.97
    cyclohexanol 899.69
    benzyl alcohol 646.09
    2-ethylhexanol 556.37
    isooctanol 352.3
    dipropyl ether 853.63
    1,2-dichlorobenzene 1341.87
    ethyl lactate 299.59
    propylene carbonate 1155.02
    n-methylformamide 578.2
    2-pentanol 492.32
    n-pentane 236.87
    1-propoxy-2-propanol 767.72
    1-methoxy-2-propyl acetate 1190.35
    2-(2-methoxypropoxy) propanol 461.04
    mesitylene 643.76
    ε-caprolactone 1788.53
    p-cymene 436.09
    epichlorohydrin 2425.37
    1,1,1-trichloroethane 2014.0
    2-aminoethanol 206.47
    morpholine-4-carbaldehyde 1673.36
    sulfolane 1187.81
    2,2,4-trimethylpentane 116.6
    2-methyltetrahydrofuran 2069.32
    n-hexyl acetate 1047.42
    isooctane 111.01
    2-(2-butoxyethoxy)ethanol 649.4
    sec-butyl acetate 700.91
    tert-butyl acetate 994.81
    decalin 212.25
    glycerin 148.67
    diglyme 1454.76
    acrylic acid 378.83
    isopropyl myristate 364.03
    n-butyric acid 917.15
    acetyl acetate 870.33
    di(2-ethylhexyl) phthalate 325.04
    ethyl propionate 763.18
    nitromethane 861.72
    1,2-diethoxyethane 1162.74
    benzonitrile 1128.65
    trioctyl phosphate 241.94
    1-bromopropane 1462.33
    gamma-valerolactone 2568.94
    n-decanol 208.51
    triethyl phosphate 361.97
    4-methyl-2-pentanol 389.05
    propionitrile 963.11
    vinylene carbonate 1270.44
    1,1,2-trichlorotrifluoroethane 1041.82
    DMS 824.59
    cumene 424.3
    2-octanol 261.42
    2-hexanone 798.95
    octyl acetate 430.02
    limonene 537.62
    1,2-dimethoxyethane 1516.15
    ethyl orthosilicate 385.15
    tributyl phosphate 304.07
    diacetone alcohol 641.73
    N,N-dimethylaniline 599.24
    acrylonitrile 914.75
    aniline 1081.36
    1,3-propanediol 426.52
    bromobenzene 1938.42
    dibromomethane 2052.63
    1,1,2,2-tetrachloroethane 2493.4
    2-methyl-cyclohexyl acetate 686.41
    tetrabutyl urea 345.03
    diisobutyl methanol 310.84
    2-phenylethanol 820.07
    styrene 821.8
    dioctyl adipate 441.51
    dimethyl sulfate 540.72
    ethyl butyrate 816.43
    methyl lactate 326.69
    butyl lactate 500.05
    diethyl carbonate 539.75
    propanediol butyl ether 419.18
    triethyl orthoformate 647.96
    p-tert-butyltoluene 424.58
    methyl 4-tert-butylbenzoate 598.9
    morpholine 2632.9
    tert-butylamine 476.39
    n-dodecanol 155.91
    dimethoxymethane 1578.29
    ethylene carbonate 1222.11
    cyrene 510.36
    2-ethoxyethyl acetate 1110.89
    2-ethylhexyl acetate 1154.7
    1,2,4-trichlorobenzene 1397.01
    4-methylpyridine 2237.33
    dibutyl ether 581.34
    2,6-dimethyl-4-heptanol 310.84
    DEF 1321.68
    dimethyl isosorbide 952.76
    tetrachloroethylene 1727.31
    eugenol 546.38
    triacetin 708.68
    span 80 426.54
    1,4-butanediol 172.64
    1,1-dichloroethane 1914.58
    2-methyl-1-pentanol 479.0
    methyl formate 538.29
    2-methyl-1-butanol 686.62
    n-decane 83.17
    butyronitrile 1161.65
    3,7-dimethyl-1-octanol 335.69
    1-chlorooctane 352.71
    1-chlorotetradecane 137.35
    n-nonane 81.42
    undecane 57.4
    tert-butylcyclohexane 168.22
    cyclooctane 222.55
    cyclopentanol 692.27
    tetrahydropyran 2877.36
    tert-amyl methyl ether 748.02
    2,5,8-trioxanonane 771.37
    1-hexene 537.69
    2-isopropoxyethanol 531.81
    2,2,2-trifluoroethanol 207.06
    methyl butyrate 911.13

    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