5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one

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  • Identifiers

    CAS number
    3292-05-5

    Molecular formula
    C10H16O

    SMILES
    CC1C2CC(C1(C)C)CC2=O

  • Odor profile

    Herbal 79.74%
    Woody 79.45%
    Camphoreous 76.31%
    Mint 69.05%
    Pine 61.66%
    Fresh 59.1%
    Cooling 57.33%
    Spicy 55.25%
    Green 48.54%
    Earthy 46.18%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    229°C

    Flash point est.
    66.8 ˚C

  • Synonyms

    • 5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one
    • 3292-05-5
    • NSC656386
    • 2-Norbornanone, 5,5,6-trimethyl-, exo-
    • exo-Isocamphanone
    • SCHEMBL2389325
    • CHEMBL1972894
    • 5,5,6-trimethylnorbornan-2-one
    • TZAXGXBLCOILBQ-UHFFFAOYSA-N
    • exo-5,5,6-Trimethyl-2-norbornanone
    • NSC-656386
    • NCI60_019524
    • DB-026302
    • 5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one #
    • Bicyclo[2.2.1]heptan-2-one, 5,5,6-trimethyl-, exo-
    • Bicyclo[2.2.1]heptan-2-one, 5,5,6-trimethyl-, endo-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 722.19
    methanol 819.34
    isopropanol 664.12
    water 35.98
    ethyl acetate 1132.48
    n-propanol 599.17
    acetone 1092.54
    n-butanol 471.62
    acetonitrile 1124.33
    DMF 1042.19
    toluene 558.27
    isobutanol 415.0
    1,4-dioxane 1947.68
    methyl acetate 1189.97
    THF 1256.88
    2-butanone 829.65
    n-pentanol 228.47
    sec-butanol 399.56
    n-hexane 36.06
    ethylene glycol 311.86
    NMP 352.92
    cyclohexane 76.78
    DMSO 553.07
    n-butyl acetate 505.79
    n-octanol 191.26
    chloroform 2224.24
    n-propyl acetate 396.04
    acetic acid 583.57
    dichloromethane 1436.62
    cyclohexanone 629.53
    propylene glycol 324.4
    isopropyl acetate 675.49
    DMAc 696.96
    2-ethoxyethanol 541.72
    isopentanol 409.37
    n-heptane 36.02
    ethyl formate 615.64
    1,2-dichloroethane 869.76
    n-hexanol 402.78
    2-methoxyethanol 1125.57
    isobutyl acetate 269.92
    tetrachloromethane 451.61
    n-pentyl acetate 289.87
    transcutol 1802.77
    n-heptanol 219.75
    ethylbenzene 291.44
    MIBK 416.87
    2-propoxyethanol 942.08
    tert-butanol 659.75
    MTBE 592.3
    2-butoxyethanol 488.53
    propionic acid 568.28
    o-xylene 340.72
    formic acid 386.36
    diethyl ether 628.88
    m-xylene 400.34
    p-xylene 491.49
    chlorobenzene 695.33
    dimethyl carbonate 464.92
    n-octane 21.57
    formamide 720.8
    cyclopentanone 737.93
    2-pentanone 581.76
    anisole 680.57
    cyclopentyl methyl ether 459.55
    gamma-butyrolactone 1005.75
    1-methoxy-2-propanol 863.55
    pyridine 1146.9
    3-pentanone 462.58
    furfural 1047.35
    n-dodecane 17.93
    diethylene glycol 828.56
    diisopropyl ether 236.82
    tert-amyl alcohol 370.62
    acetylacetone 946.52
    n-hexadecane 21.21
    acetophenone 483.26
    methyl propionate 754.19
    isopentyl acetate 461.43
    trichloroethylene 1681.83
    n-nonanol 181.43
    cyclohexanol 333.58
    benzyl alcohol 441.06
    2-ethylhexanol 196.75
    isooctanol 174.21
    dipropyl ether 275.3
    1,2-dichlorobenzene 595.52
    ethyl lactate 220.37
    propylene carbonate 599.22
    n-methylformamide 852.21
    2-pentanol 315.41
    n-pentane 48.47
    1-propoxy-2-propanol 573.09
    1-methoxy-2-propyl acetate 720.95
    2-(2-methoxypropoxy) propanol 394.36
    mesitylene 258.48
    ε-caprolactone 603.33
    p-cymene 165.9
    epichlorohydrin 1223.73
    1,1,1-trichloroethane 1184.62
    2-aminoethanol 501.98
    morpholine-4-carbaldehyde 1029.23
    sulfolane 563.37
    2,2,4-trimethylpentane 28.37
    2-methyltetrahydrofuran 679.67
    n-hexyl acetate 390.53
    isooctane 33.85
    2-(2-butoxyethoxy)ethanol 570.24
    sec-butyl acetate 321.82
    tert-butyl acetate 611.15
    decalin 47.34
    glycerin 421.62
    diglyme 1164.76
    acrylic acid 504.53
    isopropyl myristate 164.82
    n-butyric acid 642.78
    acetyl acetate 871.07
    di(2-ethylhexyl) phthalate 151.58
    ethyl propionate 445.83
    nitromethane 1473.57
    1,2-diethoxyethane 653.98
    benzonitrile 634.63
    trioctyl phosphate 102.38
    1-bromopropane 432.24
    gamma-valerolactone 1273.11
    n-decanol 134.0
    triethyl phosphate 166.14
    4-methyl-2-pentanol 245.91
    propionitrile 752.36
    vinylene carbonate 708.08
    1,1,2-trichlorotrifluoroethane 770.27
    DMS 552.42
    cumene 205.14
    2-octanol 135.09
    2-hexanone 317.6
    octyl acetate 193.94
    limonene 161.17
    1,2-dimethoxyethane 860.91
    ethyl orthosilicate 165.45
    tributyl phosphate 129.44
    diacetone alcohol 564.02
    N,N-dimethylaniline 350.01
    acrylonitrile 1007.64
    aniline 657.63
    1,3-propanediol 678.2
    bromobenzene 724.16
    dibromomethane 883.14
    1,1,2,2-tetrachloroethane 1248.3
    2-methyl-cyclohexyl acetate 246.22
    tetrabutyl urea 139.72
    diisobutyl methanol 152.34
    2-phenylethanol 535.83
    styrene 338.41
    dioctyl adipate 192.65
    dimethyl sulfate 467.72
    ethyl butyrate 365.53
    methyl lactate 403.86
    butyl lactate 242.02
    diethyl carbonate 295.3
    propanediol butyl ether 367.99
    triethyl orthoformate 255.62
    p-tert-butyltoluene 173.36
    methyl 4-tert-butylbenzoate 380.32
    morpholine 1419.95
    tert-butylamine 398.23
    n-dodecanol 101.96
    dimethoxymethane 882.44
    ethylene carbonate 604.93
    cyrene 271.78
    2-ethoxyethyl acetate 574.65
    2-ethylhexyl acetate 315.62
    1,2,4-trichlorobenzene 638.44
    4-methylpyridine 1005.36
    dibutyl ether 199.7
    2,6-dimethyl-4-heptanol 152.34
    DEF 491.64
    dimethyl isosorbide 604.36
    tetrachloroethylene 887.02
    eugenol 399.31
    triacetin 415.66
    span 80 293.41
    1,4-butanediol 218.52
    1,1-dichloroethane 1148.77
    2-methyl-1-pentanol 189.03
    methyl formate 720.87
    2-methyl-1-butanol 313.14
    n-decane 30.25
    butyronitrile 578.98
    3,7-dimethyl-1-octanol 214.52
    1-chlorooctane 124.86
    1-chlorotetradecane 55.22
    n-nonane 27.17
    undecane 22.48
    tert-butylcyclohexane 48.18
    cyclooctane 32.15
    cyclopentanol 343.03
    tetrahydropyran 894.54
    tert-amyl methyl ether 312.39
    2,5,8-trioxanonane 698.78
    1-hexene 126.44
    2-isopropoxyethanol 377.1
    2,2,2-trifluoroethanol 486.0
    methyl butyrate 445.25

    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

Botanical

Name CAS Botanical Proportion
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.13%
Spike lavender 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.47%