1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one

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  • Identifiers

    CAS number
    6541-58-8

    Molecular formula
    C10H16O

    SMILES
    CC1(CC2(CC1CC2=O)C)C

  • Odor profile

    Fragrance
    Woody 67.76%
    Camphoreous 66.45%
    Herbal 59.66%
    Mint 49.74%
    Pine 46.3%
    Earthy 44.4%
    Cedar 42.3%
    Fresh 40.68%
    Tobacco 39.9%
    Cooling 39.34%

     

    Flavor
    Woody 59.87%
    Camphor 55.36%
    Herbal 42.39%
    Minty 35.28%
    Pine 34.79%
    Bitter 33.83%
    Spicy 33.48%
    Dry 30.87%
    Tobacco 30.85%
    Earthy 29.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.36 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    227°C

    Flash point

    • 63.64 ˚C est.

  • Synonyms

    • 1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one
    • 6541-58-8
    • Isofenchone
    • SCHEMBL22693915
    • DTXSID80487239
    • BGKHEYBJLXKPGX-UHFFFAOYSA-N
    • DB-328764

  • Applications

    1,5,5-Trimethylbicyclo[2.2.1]heptan-2-one (CAS 6541-58-8) is used in perfumery as a fragrance ingredient and fixative, contributing a camphor-like odor and woody notes in a range of formulations; it is also employed in cosmetics and personal care products as a scent component. In household products, it serves as an odorant in air fresheners, detergents, and fabric softeners to enhance fragrance profiles. In industrial manufacturing, it is used as an intermediate or building block for the synthesis of bicyclic terpenoid derivatives and other fragrance-related specialty chemicals. Additionally, it may appear in coatings and inks as a fragrance additive or in polymer formulations to impart odor characteristics, subject to formulation limits and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 622.85
    methanol 732.79
    isopropanol 534.49
    water 29.86
    ethyl acetate 891.78
    n-propanol 481.43
    acetone 818.64
    n-butanol 408.08
    acetonitrile 876.2
    DMF 852.7
    toluene 419.29
    isobutanol 349.84
    1,4-dioxane 1160.85
    methyl acetate 877.64
    THF 1026.77
    2-butanone 629.7
    n-pentanol 222.41
    sec-butanol 321.99
    n-hexane 33.98
    ethylene glycol 259.54
    NMP 418.65
    cyclohexane 48.09
    DMSO 406.19
    n-butyl acetate 468.36
    n-octanol 220.27
    chloroform 1744.76
    n-propyl acetate 386.83
    acetic acid 586.48
    dichloromethane 1136.93
    cyclohexanone 520.45
    propylene glycol 293.02
    isopropyl acetate 611.52
    DMAc 621.71
    2-ethoxyethanol 501.3
    isopentanol 369.77
    n-heptane 33.7
    ethyl formate 529.03
    1,2-dichloroethane 632.52
    n-hexanol 396.25
    2-methoxyethanol 894.13
    isobutyl acetate 282.34
    tetrachloromethane 367.48
    n-pentyl acetate 274.5
    transcutol 1447.38
    n-heptanol 232.34
    ethylbenzene 255.15
    MIBK 395.0
    2-propoxyethanol 855.21
    tert-butanol 537.6
    MTBE 486.44
    2-butoxyethanol 490.05
    propionic acid 477.37
    o-xylene 268.46
    formic acid 390.09
    diethyl ether 477.74
    m-xylene 355.7
    p-xylene 399.23
    chlorobenzene 554.38
    dimethyl carbonate 399.5
    n-octane 18.71
    formamide 597.02
    cyclopentanone 645.88
    2-pentanone 508.6
    anisole 579.1
    cyclopentyl methyl ether 429.74
    gamma-butyrolactone 839.64
    1-methoxy-2-propanol 755.45
    pyridine 736.78
    3-pentanone 384.37
    furfural 897.51
    n-dodecane 16.53
    diethylene glycol 695.2
    diisopropyl ether 220.83
    tert-amyl alcohol 333.75
    acetylacetone 742.47
    n-hexadecane 19.09
    acetophenone 445.21
    methyl propionate 614.54
    isopentyl acetate 433.73
    trichloroethylene 1356.61
    n-nonanol 196.5
    cyclohexanol 267.88
    benzyl alcohol 353.08
    2-ethylhexanol 205.7
    isooctanol 183.47
    dipropyl ether 254.63
    1,2-dichlorobenzene 499.94
    ethyl lactate 224.1
    propylene carbonate 601.61
    n-methylformamide 666.14
    2-pentanol 297.74
    n-pentane 42.04
    1-propoxy-2-propanol 538.33
    1-methoxy-2-propyl acetate 642.32
    2-(2-methoxypropoxy) propanol 369.27
    mesitylene 227.6
    ε-caprolactone 525.28
    p-cymene 155.87
    epichlorohydrin 1003.3
    1,1,1-trichloroethane 906.79
    2-aminoethanol 421.83
    morpholine-4-carbaldehyde 840.66
    sulfolane 519.71
    2,2,4-trimethylpentane 30.29
    2-methyltetrahydrofuran 599.45
    n-hexyl acetate 392.27
    isooctane 33.89
    2-(2-butoxyethoxy)ethanol 528.16
    sec-butyl acetate 322.07
    tert-butyl acetate 561.2
    decalin 44.59
    glycerin 376.62
    diglyme 942.17
    acrylic acid 453.93
    isopropyl myristate 159.36
    n-butyric acid 585.93
    acetyl acetate 702.67
    di(2-ethylhexyl) phthalate 152.02
    ethyl propionate 408.2
    nitromethane 1180.24
    1,2-diethoxyethane 514.36
    benzonitrile 500.51
    trioctyl phosphate 105.88
    1-bromopropane 344.78
    gamma-valerolactone 1000.39
    n-decanol 137.52
    triethyl phosphate 159.35
    4-methyl-2-pentanol 238.58
    propionitrile 560.2
    vinylene carbonate 631.56
    1,1,2-trichlorotrifluoroethane 720.2
    DMS 444.4
    cumene 188.83
    2-octanol 139.55
    2-hexanone 306.36
    octyl acetate 190.87
    limonene 160.69
    1,2-dimethoxyethane 697.19
    ethyl orthosilicate 159.16
    tributyl phosphate 130.29
    diacetone alcohol 497.66
    N,N-dimethylaniline 331.96
    acrylonitrile 735.28
    aniline 471.9
    1,3-propanediol 529.38
    bromobenzene 553.04
    dibromomethane 688.74
    1,1,2,2-tetrachloroethane 947.78
    2-methyl-cyclohexyl acetate 237.1
    tetrabutyl urea 135.29
    diisobutyl methanol 151.99
    2-phenylethanol 449.58
    styrene 288.24
    dioctyl adipate 185.8
    dimethyl sulfate 422.89
    ethyl butyrate 341.48
    methyl lactate 364.43
    butyl lactate 238.86
    diethyl carbonate 260.03
    propanediol butyl ether 383.43
    triethyl orthoformate 236.26
    p-tert-butyltoluene 165.59
    methyl 4-tert-butylbenzoate 346.55
    morpholine 962.5
    tert-butylamine 354.93
    n-dodecanol 99.3
    dimethoxymethane 735.44
    ethylene carbonate 543.76
    cyrene 280.37
    2-ethoxyethyl acetate 488.93
    2-ethylhexyl acetate 308.83
    1,2,4-trichlorobenzene 536.33
    4-methylpyridine 758.94
    dibutyl ether 187.44
    2,6-dimethyl-4-heptanol 151.99
    DEF 435.43
    dimethyl isosorbide 567.84
    tetrachloroethylene 669.6
    eugenol 356.07
    triacetin 370.59
    span 80 280.93
    1,4-butanediol 191.7
    1,1-dichloroethane 846.84
    2-methyl-1-pentanol 201.04
    methyl formate 594.23
    2-methyl-1-butanol 290.13
    n-decane 28.34
    butyronitrile 495.56
    3,7-dimethyl-1-octanol 224.49
    1-chlorooctane 122.2
    1-chlorotetradecane 49.59
    n-nonane 25.31
    undecane 21.01
    tert-butylcyclohexane 50.16
    cyclooctane 25.34
    cyclopentanol 298.93
    tetrahydropyran 604.9
    tert-amyl methyl ether 291.59
    2,5,8-trioxanonane 549.41
    1-hexene 121.34
    2-isopropoxyethanol 359.99
    2,2,2-trifluoroethanol 469.45
    methyl butyrate 415.07

    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) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.08%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.09%
Rosemary (Spain) 6 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Pinus sylvestris (Siberia) 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.5%