6-Ethylideneoctahydro-5,8-methano-2H-benzo-1-pyran

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  • Identifiers

    CAS number
    93939-86-7

    Molecular formula
    C12H18O

    SMILES
    CC=C1CC2CC1C3C2OCCC3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 78.14%
    Fruity 77.28%
    Herbal 67.32%
    Woody 65.54%
    Spicy 43.26%
    Jasmin 42.72%
    Green 40.89%
    Fresh 40.76%
    Sweet 34.95%
    Tropical 31.78%

     

    Flavor
    Herbal 29.12%
    Bitter 26.67%
    Herb 25.35%
    Spice 25.21%
    Spicy 24.6%
    Wood 24.41%
    Animal 23.39%
    Alkaline 22.9%
    Shrimp 22.45%
    Fresh 21.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.48 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 104.37 ˚C est.

  • Synonyms

    • 6-Ethylideneoctahydro-5,8-methano-2H-benzo-1-pyran
    • 93939-86-7
    • DTXSID4052631
    • 9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane
    • Rhubarb pyran
    • SCHEMBL1472625
    • DTXCID1031204
    • UBALJTRHSDXCPY-UHFFFAOYSA-N
    • 300-376-9
    • Rhuboflor

  • Applications

    6-Ethylideneoctahydro-5,8-methano-2H-benzo-1-pyran (CAS 93939-86-7) is primarily regarded as a synthetic intermediate and an odorant/fragrance component, with typical applications in the fragrance and perfumery sector. It can also be used in cosmetics and personal care products as a fragrance ingredient or scent carrier; it may serve as a fragrance carrier or fixative in household and cleaning products; in the plastics and rubber sector, it can be used as a fragrance additive or a component of material systems; and in industrial manufacturing as a precursor for other organic syntheses. All usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1026.82
    methanol 1192.1
    isopropanol 852.09
    water 6.89
    ethyl acetate 1500.81
    n-propanol 872.73
    acetone 1212.44
    n-butanol 1010.54
    acetonitrile 1357.18
    DMF 721.79
    toluene 1316.06
    isobutanol 684.29
    1,4-dioxane 2333.11
    methyl acetate 1015.71
    THF 2491.85
    2-butanone 972.35
    n-pentanol 447.08
    sec-butanol 518.55
    n-hexane 95.07
    ethylene glycol 230.46
    NMP 570.79
    cyclohexane 345.95
    DMSO 638.06
    n-butyl acetate 989.24
    n-octanol 288.18
    chloroform 4762.79
    n-propyl acetate 602.79
    acetic acid 1029.89
    dichloromethane 3980.05
    cyclohexanone 1420.06
    propylene glycol 210.92
    isopropyl acetate 1002.25
    DMAc 519.06
    2-ethoxyethanol 743.54
    isopentanol 849.44
    n-heptane 127.56
    ethyl formate 878.65
    1,2-dichloroethane 1802.32
    n-hexanol 683.98
    2-methoxyethanol 1328.04
    isobutyl acetate 454.12
    tetrachloromethane 837.43
    n-pentyl acetate 502.62
    transcutol 2661.54
    n-heptanol 313.94
    ethylbenzene 367.71
    MIBK 705.42
    2-propoxyethanol 1185.55
    tert-butanol 773.2
    MTBE 868.83
    2-butoxyethanol 608.87
    propionic acid 616.03
    o-xylene 497.65
    formic acid 362.8
    diethyl ether 1286.39
    m-xylene 701.06
    p-xylene 397.08
    chlorobenzene 1287.82
    dimethyl carbonate 444.35
    n-octane 49.7
    formamide 460.68
    cyclopentanone 1332.07
    2-pentanone 1002.86
    anisole 675.72
    cyclopentyl methyl ether 1118.68
    gamma-butyrolactone 1482.81
    1-methoxy-2-propanol 910.12
    pyridine 1919.9
    3-pentanone 709.78
    furfural 1372.86
    n-dodecane 47.59
    diethylene glycol 874.73
    diisopropyl ether 434.99
    tert-amyl alcohol 434.93
    acetylacetone 1128.4
    n-hexadecane 54.38
    acetophenone 517.6
    methyl propionate 810.14
    isopentyl acetate 881.89
    trichloroethylene 3117.97
    n-nonanol 252.73
    cyclohexanol 836.16
    benzyl alcohol 530.56
    2-ethylhexanol 388.78
    isooctanol 274.88
    dipropyl ether 546.26
    1,2-dichlorobenzene 954.11
    ethyl lactate 267.3
    propylene carbonate 942.33
    n-methylformamide 635.42
    2-pentanol 573.92
    n-pentane 184.93
    1-propoxy-2-propanol 709.72
    1-methoxy-2-propyl acetate 844.61
    2-(2-methoxypropoxy) propanol 459.66
    mesitylene 413.66
    ε-caprolactone 1176.58
    p-cymene 266.31
    epichlorohydrin 1947.4
    1,1,1-trichloroethane 1795.62
    2-aminoethanol 383.39
    morpholine-4-carbaldehyde 1057.14
    sulfolane 895.8
    2,2,4-trimethylpentane 83.19
    2-methyltetrahydrofuran 1535.94
    n-hexyl acetate 634.42
    isooctane 96.76
    2-(2-butoxyethoxy)ethanol 706.69
    sec-butyl acetate 466.34
    tert-butyl acetate 776.87
    decalin 112.15
    glycerin 349.63
    diglyme 1470.51
    acrylic acid 553.85
    isopropyl myristate 247.6
    n-butyric acid 1316.42
    acetyl acetate 1075.16
    di(2-ethylhexyl) phthalate 238.36
    ethyl propionate 539.87
    nitromethane 1302.98
    1,2-diethoxyethane 1044.98
    benzonitrile 974.18
    trioctyl phosphate 164.75
    1-bromopropane 1178.44
    gamma-valerolactone 1581.06
    n-decanol 189.85
    triethyl phosphate 237.18
    4-methyl-2-pentanol 403.39
    propionitrile 1125.78
    vinylene carbonate 1040.19
    1,1,2-trichlorotrifluoroethane 948.8
    DMS 498.28
    cumene 247.85
    2-octanol 190.71
    2-hexanone 475.24
    octyl acetate 291.2
    limonene 339.13
    1,2-dimethoxyethane 1236.08
    ethyl orthosilicate 247.71
    tributyl phosphate 215.49
    diacetone alcohol 560.52
    N,N-dimethylaniline 349.97
    acrylonitrile 1137.43
    aniline 959.75
    1,3-propanediol 755.05
    bromobenzene 1517.46
    dibromomethane 2521.57
    1,1,2,2-tetrachloroethane 1990.48
    2-methyl-cyclohexyl acetate 393.66
    tetrabutyl urea 216.95
    diisobutyl methanol 267.75
    2-phenylethanol 610.56
    styrene 505.26
    dioctyl adipate 307.57
    dimethyl sulfate 382.33
    ethyl butyrate 629.54
    methyl lactate 338.58
    butyl lactate 306.76
    diethyl carbonate 396.44
    propanediol butyl ether 414.02
    triethyl orthoformate 408.58
    p-tert-butyltoluene 254.53
    methyl 4-tert-butylbenzoate 430.09
    morpholine 1950.95
    tert-butylamine 572.74
    n-dodecanol 152.49
    dimethoxymethane 1161.01
    ethylene carbonate 983.71
    cyrene 359.09
    2-ethoxyethyl acetate 813.4
    2-ethylhexyl acetate 630.46
    1,2,4-trichlorobenzene 972.82
    4-methylpyridine 1585.25
    dibutyl ether 436.34
    2,6-dimethyl-4-heptanol 267.75
    DEF 746.71
    dimethyl isosorbide 703.85
    tetrachloroethylene 1459.93
    eugenol 388.72
    triacetin 520.49
    span 80 386.41
    1,4-butanediol 263.42
    1,1-dichloroethane 1967.24
    2-methyl-1-pentanol 431.15
    methyl formate 592.13
    2-methyl-1-butanol 637.86
    n-decane 75.49
    butyronitrile 1318.09
    3,7-dimethyl-1-octanol 318.81
    1-chlorooctane 244.12
    1-chlorotetradecane 112.22
    n-nonane 72.52
    undecane 57.86
    tert-butylcyclohexane 97.71
    cyclooctane 134.51
    cyclopentanol 695.79
    tetrahydropyran 2010.98
    tert-amyl methyl ether 483.22
    2,5,8-trioxanonane 829.57
    1-hexene 280.61
    2-isopropoxyethanol 519.53
    2,2,2-trifluoroethanol 416.77
    methyl butyrate 655.46

    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