5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro-

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  • Identifiers

    CAS number
    69486-14-2

    Molecular formula
    C12H16O2

    SMILES
    C/C=C/1\CC2CC1C3C2OC(=O)CC3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 74.19%
    Green 69.08%
    Spicy 66.76%
    Sweet 62.56%
    Herbal 51.59%
    Coconut 41.41%
    Balsamic 38.89%
    Coumarinic 36.89%
    Floral 35.17%
    Oily 35.02%

     

    Flavor
    Bitter 53.78%
    Herbal 32.79%
    Fatty 22.23%
    Minty 21.29%
    Cedarleaf 21.26%
    Lovage 21.2%
    Spice 21.02%
    Spicy 20.38%
    Shrimp 20.09%
    Alkaline 20.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.6 (weak base)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Flash point

    • 136.09 ˚C est.

  • Synonyms

    • 9-Ethylidene-3-oxatricyclo(6.2.1.02,7)undecane-4-one
    • 69486-14-2
    • 5,8-Methano-2H-1-benzopyran-2-one,6-ethylideneoctahydro-
    • 5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro-
    • 6- and 7-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran-2-one
    • (E)-6-ethylideneoctahydro-2H-5,8-methanochromen-2-one
    • 6-and 7-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran-2-one
    • 614-980-8

  • Applications

    5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro- (CAS 69486-14-2) is a hydrogenated coumarin-type compound commonly used in fragrance chemistry as an odorant and fixative, influencing vanilla-like notes and improving scent longevity in perfumery and scented consumer products. It is often evaluated for use in cosmetics and personal care formulations as a fragrance ingredient contributing to a smooth, sweet aroma. In household cleaning products, it can serve as a fragrance additive to impart pleasant, long-lasting scents. In industrial manufacturing, it is used as an intermediate in organic synthesis or as a precursor to other fragrance and specialty aroma chemicals. In coatings and inks, it may be employed as a fragrance modifier to improve olfactory performance of scented coatings and labeling inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 420.08
    methanol 627.52
    isopropanol 406.65
    water 3.06
    ethyl acetate 557.4
    n-propanol 348.38
    acetone 695.05
    n-butanol 321.34
    acetonitrile 512.23
    DMF 647.21
    toluene 397.48
    isobutanol 260.94
    1,4-dioxane 1015.79
    methyl acetate 489.9
    THF 1070.56
    2-butanone 526.98
    n-pentanol 163.57
    sec-butanol 200.97
    n-hexane 6.68
    ethylene glycol 144.99
    NMP 345.0
    cyclohexane 20.04
    DMSO 593.61
    n-butyl acetate 273.34
    n-octanol 95.73
    chloroform 1698.86
    n-propyl acetate 238.44
    acetic acid 383.13
    dichloromethane 1436.71
    cyclohexanone 588.26
    propylene glycol 139.06
    isopropyl acetate 388.29
    DMAc 401.46
    2-ethoxyethanol 376.98
    isopentanol 320.46
    n-heptane 6.57
    ethyl formate 340.47
    1,2-dichloroethane 706.74
    n-hexanol 193.32
    2-methoxyethanol 729.42
    isobutyl acetate 186.86
    tetrachloromethane 158.96
    n-pentyl acetate 174.43
    transcutol 1569.6
    n-heptanol 101.41
    ethylbenzene 127.66
    MIBK 301.8
    2-propoxyethanol 474.75
    tert-butanol 378.42
    MTBE 314.18
    2-butoxyethanol 255.0
    propionic acid 268.84
    o-xylene 178.18
    formic acid 192.74
    diethyl ether 353.46
    m-xylene 248.58
    p-xylene 160.75
    chlorobenzene 431.82
    dimethyl carbonate 233.42
    n-octane 4.8
    formamide 298.29
    cyclopentanone 689.18
    2-pentanone 447.78
    anisole 315.8
    cyclopentyl methyl ether 355.69
    gamma-butyrolactone 749.95
    1-methoxy-2-propanol 545.95
    pyridine 769.85
    3-pentanone 287.33
    furfural 683.32
    n-dodecane 7.12
    diethylene glycol 472.25
    diisopropyl ether 103.98
    tert-amyl alcohol 196.96
    acetylacetone 586.98
    n-hexadecane 8.39
    acetophenone 259.14
    methyl propionate 367.99
    isopentyl acetate 270.93
    trichloroethylene 1322.58
    n-nonanol 87.58
    cyclohexanol 227.7
    benzyl alcohol 259.28
    2-ethylhexanol 96.18
    isooctanol 95.14
    dipropyl ether 95.73
    1,2-dichlorobenzene 346.47
    ethyl lactate 135.09
    propylene carbonate 404.19
    n-methylformamide 437.68
    2-pentanol 185.52
    n-pentane 11.17
    1-propoxy-2-propanol 267.13
    1-methoxy-2-propyl acetate 357.13
    2-(2-methoxypropoxy) propanol 252.45
    mesitylene 142.67
    ε-caprolactone 461.72
    p-cymene 70.19
    epichlorohydrin 1018.53
    1,1,1-trichloroethane 560.05
    2-aminoethanol 214.37
    morpholine-4-carbaldehyde 616.86
    sulfolane 548.75
    2,2,4-trimethylpentane 11.48
    2-methyltetrahydrofuran 532.29
    n-hexyl acetate 242.68
    isooctane 14.56
    2-(2-butoxyethoxy)ethanol 374.31
    sec-butyl acetate 187.96
    tert-butyl acetate 332.09
    decalin 17.05
    glycerin 258.89
    diglyme 680.8
    acrylic acid 250.02
    isopropyl myristate 92.53
    n-butyric acid 439.74
    acetyl acetate 367.99
    di(2-ethylhexyl) phthalate 112.38
    ethyl propionate 208.51
    nitromethane 703.2
    1,2-diethoxyethane 362.3
    benzonitrile 398.87
    trioctyl phosphate 71.54
    1-bromopropane 314.89
    gamma-valerolactone 860.28
    n-decanol 67.22
    triethyl phosphate 88.44
    4-methyl-2-pentanol 157.09
    propionitrile 390.56
    vinylene carbonate 449.6
    1,1,2-trichlorotrifluoroethane 478.56
    DMS 278.96
    cumene 90.0
    2-octanol 69.31
    2-hexanone 212.43
    octyl acetate 113.06
    limonene 78.61
    1,2-dimethoxyethane 535.65
    ethyl orthosilicate 84.74
    tributyl phosphate 89.49
    diacetone alcohol 321.17
    N,N-dimethylaniline 165.94
    acrylonitrile 520.95
    aniline 390.05
    1,3-propanediol 390.95
    bromobenzene 461.84
    dibromomethane 768.92
    1,1,2,2-tetrachloroethane 898.58
    2-methyl-cyclohexyl acetate 139.16
    tetrabutyl urea 101.83
    diisobutyl methanol 77.46
    2-phenylethanol 240.38
    styrene 168.23
    dioctyl adipate 123.27
    dimethyl sulfate 270.9
    ethyl butyrate 166.27
    methyl lactate 211.21
    butyl lactate 153.17
    diethyl carbonate 129.16
    propanediol butyl ether 248.04
    triethyl orthoformate 118.45
    p-tert-butyltoluene 69.05
    methyl 4-tert-butylbenzoate 213.89
    morpholine 829.01
    tert-butylamine 203.71
    n-dodecanol 52.25
    dimethoxymethane 621.12
    ethylene carbonate 387.97
    cyrene 215.22
    2-ethoxyethyl acetate 334.17
    2-ethylhexyl acetate 185.95
    1,2,4-trichlorobenzene 385.82
    4-methylpyridine 694.25
    dibutyl ether 107.06
    2,6-dimethyl-4-heptanol 77.46
    DEF 313.62
    dimethyl isosorbide 349.67
    tetrachloroethylene 552.39
    eugenol 227.28
    triacetin 257.54
    span 80 186.86
    1,4-butanediol 141.29
    1,1-dichloroethane 770.72
    2-methyl-1-pentanol 174.95
    methyl formate 377.13
    2-methyl-1-butanol 231.46
    n-decane 10.4
    butyronitrile 386.96
    3,7-dimethyl-1-octanol 113.55
    1-chlorooctane 58.09
    1-chlorotetradecane 27.99
    n-nonane 8.23
    undecane 8.39
    tert-butylcyclohexane 16.45
    cyclooctane 8.41
    cyclopentanol 239.61
    tetrahydropyran 607.97
    tert-amyl methyl ether 168.05
    2,5,8-trioxanonane 423.26
    1-hexene 44.42
    2-isopropoxyethanol 267.77
    2,2,2-trifluoroethanol 193.0
    methyl butyrate 252.03

    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