4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one

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  • Identifiers

    CAS number
    51519-65-4

    Molecular formula
    C11H14O

    SMILES
    C1CC2C3CC(C2C(=O)C1)C=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 76.11%
    Green 74.61%
    Woody 71.6%
    Herbal 55.66%
    Fresh 48.99%
    Floral 44.78%
    Spicy 35.8%
    Jasmin 34.15%
    Oily 31.0%
    Sweet 30.81%

     

    Flavor
    Bitter 56.78%
    Animal 25.32%
    Alkaline 21.47%
    Shrimp 21.4%
    Cedarleaf 20.66%
    Herbal 20.18%
    Lovage 19.76%
    Cereal 19.7%
    Basil 19.48%
    Terpentine 19.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.18 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    257°C

    Flash point

    • 105.53 ˚C est.

  • Synonyms

    • 4,4a,6,7,8,8a-Hexahydro-1,4-methanonaphthalen-5(1H)-one
    • 51519-65-4
    • EINECS 257-251-6
    • DTXSID2052154
    • 1,4-Methanonaphthalen-5(1H)-one, 4,4a,6,7,8,8a-hexahydro-
    • SCHEMBL2038990
    • DTXCID7030723
    • YINCMLNASBORJF-UHFFFAOYSA-N
    • NS00032296
    • 257-251-6

  • Applications

    4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1H)-one (CAS 51519-65-4) is a bicyclic ketone primarily used as an intermediate and odor-active building block in fragrance chemistry. It is commonly evaluated as a fragrance component or fixative in perfumery and cosmetics, and may contribute aroma notes in household products. It also serves as a synthetic intermediate in industrial manufacturing for fragrance materials and can function as a building block for more complex compounds. In polymer/plastics chemistry, it may be used as a functionalized monomer or precursor for specialty polymers, and it can appear as an intermediate in pharmaceutical or agrochemical R&D, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 640.33
    methanol 938.68
    isopropanol 455.99
    water 12.25
    ethyl acetate 521.17
    n-propanol 500.53
    acetone 840.5
    n-butanol 413.22
    acetonitrile 788.54
    DMF 869.0
    toluene 498.3
    isobutanol 346.0
    1,4-dioxane 1478.29
    methyl acetate 554.72
    THF 1393.38
    2-butanone 574.3
    n-pentanol 241.65
    sec-butanol 280.89
    n-hexane 42.55
    ethylene glycol 237.75
    NMP 629.51
    cyclohexane 88.73
    DMSO 869.49
    n-butyl acetate 253.91
    n-octanol 172.85
    chloroform 2150.03
    n-propyl acetate 270.77
    acetic acid 595.77
    dichloromethane 1725.84
    cyclohexanone 806.4
    propylene glycol 217.29
    isopropyl acetate 343.2
    DMAc 431.72
    2-ethoxyethanol 488.97
    isopentanol 334.32
    n-heptane 33.57
    ethyl formate 360.57
    1,2-dichloroethane 914.82
    n-hexanol 282.71
    2-methoxyethanol 859.34
    isobutyl acetate 197.63
    tetrachloromethane 309.2
    n-pentyl acetate 212.27
    transcutol 1698.64
    n-heptanol 170.81
    ethylbenzene 176.82
    MIBK 346.07
    2-propoxyethanol 594.52
    tert-butanol 372.02
    MTBE 336.92
    2-butoxyethanol 376.2
    propionic acid 428.51
    o-xylene 214.95
    formic acid 309.91
    diethyl ether 531.47
    m-xylene 292.54
    p-xylene 198.85
    chlorobenzene 574.97
    dimethyl carbonate 270.11
    n-octane 20.25
    formamide 409.01
    cyclopentanone 966.88
    2-pentanone 494.29
    anisole 387.51
    cyclopentyl methyl ether 597.6
    gamma-butyrolactone 1076.83
    1-methoxy-2-propanol 627.67
    pyridine 983.95
    3-pentanone 352.66
    furfural 882.74
    n-dodecane 20.22
    diethylene glycol 549.54
    diisopropyl ether 164.82
    tert-amyl alcohol 231.6
    acetylacetone 591.96
    n-hexadecane 23.15
    acetophenone 291.21
    methyl propionate 407.0
    isopentyl acetate 243.11
    trichloroethylene 1574.09
    n-nonanol 147.47
    cyclohexanol 361.3
    benzyl alcohol 299.45
    2-ethylhexanol 148.2
    isooctanol 146.26
    dipropyl ether 198.03
    1,2-dichlorobenzene 426.17
    ethyl lactate 169.1
    propylene carbonate 491.08
    n-methylformamide 623.06
    2-pentanol 252.36
    n-pentane 55.19
    1-propoxy-2-propanol 345.0
    1-methoxy-2-propyl acetate 333.24
    2-(2-methoxypropoxy) propanol 286.64
    mesitylene 187.32
    ε-caprolactone 605.19
    p-cymene 94.68
    epichlorohydrin 1256.53
    1,1,1-trichloroethane 770.67
    2-aminoethanol 357.74
    morpholine-4-carbaldehyde 853.0
    sulfolane 904.56
    2,2,4-trimethylpentane 28.46
    2-methyltetrahydrofuran 791.19
    n-hexyl acetate 311.72
    isooctane 34.73
    2-(2-butoxyethoxy)ethanol 468.71
    sec-butyl acetate 203.11
    tert-butyl acetate 315.63
    decalin 47.85
    glycerin 353.94
    diglyme 829.39
    acrylic acid 452.72
    isopropyl myristate 124.58
    n-butyric acid 512.53
    acetyl acetate 371.61
    di(2-ethylhexyl) phthalate 122.52
    ethyl propionate 243.49
    nitromethane 975.98
    1,2-diethoxyethane 404.17
    benzonitrile 469.35
    trioctyl phosphate 88.54
    1-bromopropane 514.53
    gamma-valerolactone 1174.05
    n-decanol 110.25
    triethyl phosphate 104.98
    4-methyl-2-pentanol 182.2
    propionitrile 539.76
    vinylene carbonate 544.31
    1,1,2-trichlorotrifluoroethane 640.96
    DMS 308.8
    cumene 125.49
    2-octanol 116.47
    2-hexanone 274.53
    octyl acetate 147.43
    limonene 115.58
    1,2-dimethoxyethane 639.89
    ethyl orthosilicate 103.23
    tributyl phosphate 104.1
    diacetone alcohol 334.42
    N,N-dimethylaniline 209.77
    acrylonitrile 695.14
    aniline 494.49
    1,3-propanediol 473.15
    bromobenzene 606.14
    dibromomethane 1079.39
    1,1,2,2-tetrachloroethane 1060.73
    2-methyl-cyclohexyl acetate 164.0
    tetrabutyl urea 122.46
    diisobutyl methanol 105.76
    2-phenylethanol 273.64
    styrene 237.46
    dioctyl adipate 154.79
    dimethyl sulfate 341.2
    ethyl butyrate 197.59
    methyl lactate 260.58
    butyl lactate 181.12
    diethyl carbonate 142.44
    propanediol butyl ether 339.56
    triethyl orthoformate 142.59
    p-tert-butyltoluene 89.73
    methyl 4-tert-butylbenzoate 262.82
    morpholine 1168.53
    tert-butylamine 247.21
    n-dodecanol 86.38
    dimethoxymethane 748.5
    ethylene carbonate 434.2
    cyrene 239.23
    2-ethoxyethyl acetate 345.12
    2-ethylhexyl acetate 173.54
    1,2,4-trichlorobenzene 492.94
    4-methylpyridine 771.16
    dibutyl ether 176.92
    2,6-dimethyl-4-heptanol 105.76
    DEF 397.06
    dimethyl isosorbide 387.75
    tetrachloroethylene 738.43
    eugenol 260.15
    triacetin 295.8
    span 80 237.62
    1,4-butanediol 197.04
    1,1-dichloroethane 943.02
    2-methyl-1-pentanol 206.15
    methyl formate 525.29
    2-methyl-1-butanol 277.27
    n-decane 31.67
    butyronitrile 481.41
    3,7-dimethyl-1-octanol 152.28
    1-chlorooctane 120.8
    1-chlorotetradecane 51.61
    n-nonane 29.91
    undecane 24.68
    tert-butylcyclohexane 43.95
    cyclooctane 35.42
    cyclopentanol 415.58
    tetrahydropyran 918.21
    tert-amyl methyl ether 198.72
    2,5,8-trioxanonane 464.27
    1-hexene 140.0
    2-isopropoxyethanol 326.23
    2,2,2-trifluoroethanol 277.29
    methyl butyrate 288.69

    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