(4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho(2,3-b)furan

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  • Identifiers

    CAS number
    6750-13-6

    Molecular formula
    C15H22O

    SMILES
    C[C@H]1CCC[C@H]2[C@@]1(CC3=C(C2)OC=C3C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 49.63%
    Spicy 42.81%
    Sweet 42.01%
    Earthy 39.18%
    Herbal 38.78%
    Animal 34.03%
    Dry 33.5%
    Musk 30.35%
    Tobacco 30.27%
    Amber 30.05%

     

    Flavor
    Earthy 54.69%
    Musty 42.31%
    Woody 39.95%
    Earth 35.45%
    Camphor 30.74%
    Spicy 28.89%
    Wood 27.33%
    Spice 27.18%
    Dry 25.55%
    Pepper 25.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.77 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    318°C

    Flash point

    • 146.54 ˚C est.

  • Synonyms

    • 97GM5F3XWY
    • 6750-13-6
    • DTXSID401140669
    • (4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho(2,3-b)furan
    • (4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan
    • RefChem:37364
    • 3,4a,5-trimethyl-4H,4aH,5H,6H,7H,8H,8aH,9H-naphtho(2,3-b)furan
    • DTXCID101572289
    • 3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo(f)(1)benzofuran
    • Furanoeremophilane
    • Furoeremophilane
    • 8,12-Epoxyeremophila-7,11-diene
    • UNII-97GM5F3XWY
    • Eremophila-7,11-diene, 8,12-epoxy-
    • Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-, (4aR,5S,8aR)-
    • Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethyl-, (4ar-(4aalpha,5alpha,8aalpha))-
    • CV9Y756J5K
    • (+/-)-FURANOEREMOPHILANE
    • FURANOEREMOPHILANE, (+/-)-
    • (4aR,5S,8aR)-3,4a,5-Trimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
    • 53797-56-1
    • NAPHTHO(2,3-B)FURAN, 4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-, (4A.ALPHA.,5.ALPHA.,8A.ALPHA.)-(+/-)-
    • NAPHTHO(2,3-B)FURAN, 4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-, (4AR,5S,8AR)-REL-
    • NAPHTHO(2,3-B)FURAN, 4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYL-, (4AR-(4A.ALPHA.,5.ALPHA.,8A.ALPHA.))-
    • REL-(4AR,5S,8AR)-4,4A,5,6,7,8,8A,9-OCTAHYDRO-3,4A,5-TRIMETHYLNAPHTHO(2,3-B)FURAN
    • 6750-13-6

  • Applications

    For the compound (4aR,5S,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho(2,3-b)furan (CAS 6750-13-6), potential uses include as a fragrance ingredient and aroma chemical in perfumery and flavor applications, where it may act as a scent fixative; it is also evaluated for cosmetics and personal care as a fragrance additive; in industrial manufacturing it can serve as a chiral building block or synthetic intermediate for specialty chemicals; in polymers/plastics it may be considered as a building block or additive for niche polymer systems; it may also function as an intermediate in pharmaceutical synthesis; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1096.92
    methanol 740.67
    isopropanol 1121.71
    water 1.41
    ethyl acetate 1695.29
    n-propanol 1085.71
    acetone 1638.99
    n-butanol 1133.82
    acetonitrile 872.8
    DMF 1818.12
    toluene 1538.25
    isobutanol 812.32
    1,4-dioxane 3698.29
    methyl acetate 1389.81
    THF 3056.29
    2-butanone 1435.88
    n-pentanol 342.09
    sec-butanol 492.22
    n-hexane 33.57
    ethylene glycol 84.07
    NMP 436.06
    cyclohexane 211.92
    DMSO 430.2
    n-butyl acetate 1181.78
    n-octanol 157.82
    chloroform 3579.36
    n-propyl acetate 682.38
    acetic acid 330.07
    dichloromethane 3386.41
    cyclohexanone 1620.63
    propylene glycol 123.63
    isopropyl acetate 1064.45
    DMAc 844.86
    2-ethoxyethanol 594.69
    isopentanol 861.91
    n-heptane 49.53
    ethyl formate 1025.19
    1,2-dichloroethane 1968.95
    n-hexanol 707.55
    2-methoxyethanol 1446.95
    isobutyl acetate 554.45
    tetrachloromethane 512.95
    n-pentyl acetate 516.76
    transcutol 1999.55
    n-heptanol 212.8
    ethylbenzene 420.69
    MIBK 735.1
    2-propoxyethanol 1345.19
    tert-butanol 913.86
    MTBE 1343.54
    2-butoxyethanol 493.8
    propionic acid 408.6
    o-xylene 601.1
    formic acid 94.33
    diethyl ether 1590.16
    m-xylene 751.12
    p-xylene 633.6
    chlorobenzene 1416.01
    dimethyl carbonate 451.5
    n-octane 23.94
    formamide 262.04
    cyclopentanone 1522.5
    2-pentanone 1272.0
    anisole 802.46
    cyclopentyl methyl ether 947.45
    gamma-butyrolactone 1459.49
    1-methoxy-2-propanol 979.67
    pyridine 2366.66
    3-pentanone 839.07
    furfural 1196.95
    n-dodecane 22.0
    diethylene glycol 584.7
    diisopropyl ether 374.27
    tert-amyl alcohol 385.74
    acetylacetone 1256.37
    n-hexadecane 27.1
    acetophenone 608.2
    methyl propionate 1048.27
    isopentyl acetate 1055.52
    trichloroethylene 2963.57
    n-nonanol 163.69
    cyclohexanol 579.88
    benzyl alcohol 523.56
    2-ethylhexanol 318.54
    isooctanol 179.56
    dipropyl ether 520.49
    1,2-dichlorobenzene 907.32
    ethyl lactate 197.18
    propylene carbonate 826.73
    n-methylformamide 832.96
    2-pentanol 474.08
    n-pentane 75.07
    1-propoxy-2-propanol 736.98
    1-methoxy-2-propyl acetate 1089.47
    2-(2-methoxypropoxy) propanol 405.93
    mesitylene 392.3
    ε-caprolactone 1156.57
    p-cymene 264.07
    epichlorohydrin 2065.5
    1,1,1-trichloroethane 1577.89
    2-aminoethanol 264.14
    morpholine-4-carbaldehyde 1170.17
    sulfolane 622.67
    2,2,4-trimethylpentane 37.51
    2-methyltetrahydrofuran 1549.3
    n-hexyl acetate 572.73
    isooctane 44.77
    2-(2-butoxyethoxy)ethanol 627.27
    sec-butyl acetate 528.71
    tert-butyl acetate 865.0
    decalin 66.5
    glycerin 149.86
    diglyme 1372.13
    acrylic acid 287.01
    isopropyl myristate 235.77
    n-butyric acid 1002.74
    acetyl acetate 813.76
    di(2-ethylhexyl) phthalate 218.63
    ethyl propionate 585.42
    nitromethane 949.7
    1,2-diethoxyethane 1298.46
    benzonitrile 960.16
    trioctyl phosphate 137.76
    1-bromopropane 1081.04
    gamma-valerolactone 2228.89
    n-decanol 126.0
    triethyl phosphate 202.08
    4-methyl-2-pentanol 317.34
    propionitrile 1060.4
    vinylene carbonate 1045.15
    1,1,2-trichlorotrifluoroethane 582.83
    DMS 579.71
    cumene 249.32
    2-octanol 132.08
    2-hexanone 556.69
    octyl acetate 270.05
    limonene 296.17
    1,2-dimethoxyethane 1538.71
    ethyl orthosilicate 219.13
    tributyl phosphate 179.13
    diacetone alcohol 551.61
    N,N-dimethylaniline 402.04
    acrylonitrile 1131.06
    aniline 1141.84
    1,3-propanediol 685.34
    bromobenzene 1573.7
    dibromomethane 1944.44
    1,1,2,2-tetrachloroethane 1850.74
    2-methyl-cyclohexyl acetate 393.02
    tetrabutyl urea 216.7
    diisobutyl methanol 194.66
    2-phenylethanol 686.97
    styrene 554.19
    dioctyl adipate 291.6
    dimethyl sulfate 337.76
    ethyl butyrate 645.28
    methyl lactate 261.75
    butyl lactate 280.66
    diethyl carbonate 418.9
    propanediol butyl ether 295.41
    triethyl orthoformate 402.59
    p-tert-butyltoluene 258.11
    methyl 4-tert-butylbenzoate 399.64
    morpholine 3192.83
    tert-butylamine 629.5
    n-dodecanol 100.81
    dimethoxymethane 1827.37
    ethylene carbonate 940.46
    cyrene 286.52
    2-ethoxyethyl acetate 875.19
    2-ethylhexyl acetate 747.23
    1,2,4-trichlorobenzene 914.19
    4-methylpyridine 2292.05
    dibutyl ether 355.68
    2,6-dimethyl-4-heptanol 194.66
    DEF 940.57
    dimethyl isosorbide 675.89
    tetrachloroethylene 1208.13
    eugenol 391.15
    triacetin 461.03
    span 80 315.57
    1,4-butanediol 145.29
    1,1-dichloroethane 1932.86
    2-methyl-1-pentanol 314.79
    methyl formate 636.63
    2-methyl-1-butanol 569.39
    n-decane 33.96
    butyronitrile 1219.75
    3,7-dimethyl-1-octanol 213.78
    1-chlorooctane 141.8
    1-chlorotetradecane 70.4
    n-nonane 29.13
    undecane 26.6
    tert-butylcyclohexane 55.21
    cyclooctane 58.85
    cyclopentanol 505.3
    tetrahydropyran 2663.71
    tert-amyl methyl ether 462.78
    2,5,8-trioxanonane 753.54
    1-hexene 198.06
    2-isopropoxyethanol 438.21
    2,2,2-trifluoroethanol 154.38
    methyl butyrate 743.3

    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