Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-

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  • Identifiers

    CAS number
    60113-43-1

    Molecular formula
    C11H18O

    SMILES
    CC1C(CC2CC1C2(C)C)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 78.08%
    Herbal 71.33%
    Woody 69.51%
    Fresh 57.25%
    Mint 48.18%
    Camphoreous 43.36%
    Pine 43.25%
    Spicy 43.22%
    Citrus 38.82%
    Leafy 37.99%

     

    Flavor
    Herbal 55.98%
    Woody 55.66%
    Sweet 53.97%
    Green 42.22%
    Spicy 39.76%
    Minty 39.57%
    Balsam 37.98%
    Camphor 36.47%
    Spice 34.61%
    Fresh 34.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.5 (neutral)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 80.09 ˚C est.

  • Synonyms

    • 2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-3-CARBALDEHYDE
    • EINECS 262-062-7
    • 2,6,6-Trimethylbicyclo(3.1.1)heptane-3-carbaldehyde
    • Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
    • DTXSID10866790
    • EC 262-062-7
    • Bicyclo(3.1.1)heptane-3-carboxaldehyde, 2,6,6-trimethyl-
    • RefChem:568220
    • DTXCID80815033
    • 262-062-7
    • 60113-43-1
    • (+)-3-formylpinane
    • 3-formylpinane
    • (-)-3-formylpinane
    • SCHEMBL2852181
    • DB-302495
    • NS00003951
    • 60113-43-1

  • Applications

    Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (CAS 60113-43-1) is primarily used as a fragrance-related intermediate and odorant, contributing to scent profiles in perfumery and related applications and can act as a fixative component in formulations. It is commonly evaluated as a building block in cosmetics/personal care products and in household cleaning products where fragrance performance is important. In industrial manufacturing, it serves as an intermediate for fragrance chemical synthesis and related specialty additives used across coatings, inks, and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1019.92
    methanol 825.49
    isopropanol 804.39
    water 8.18
    ethyl acetate 1735.19
    n-propanol 851.62
    acetone 1813.15
    n-butanol 690.53
    acetonitrile 1677.32
    DMF 1171.17
    toluene 644.72
    isobutanol 535.06
    1,4-dioxane 2404.37
    methyl acetate 1447.14
    THF 3614.35
    2-butanone 1219.83
    n-pentanol 234.56
    sec-butanol 432.74
    n-hexane 35.97
    ethylene glycol 213.09
    NMP 729.03
    cyclohexane 132.24
    DMSO 875.42
    n-butyl acetate 863.76
    n-octanol 166.25
    chloroform 3029.72
    n-propyl acetate 559.76
    acetic acid 705.18
    dichloromethane 2763.61
    cyclohexanone 1309.24
    propylene glycol 232.65
    isopropyl acetate 1005.1
    DMAc 572.1
    2-ethoxyethanol 496.6
    isopentanol 539.25
    n-heptane 43.98
    ethyl formate 938.97
    1,2-dichloroethane 1865.93
    n-hexanol 514.62
    2-methoxyethanol 1270.9
    isobutyl acetate 338.27
    tetrachloromethane 466.04
    n-pentyl acetate 353.09
    transcutol 2290.0
    n-heptanol 194.91
    ethylbenzene 227.21
    MIBK 625.61
    2-propoxyethanol 1058.62
    tert-butanol 808.31
    MTBE 891.33
    2-butoxyethanol 456.74
    propionic acid 713.06
    o-xylene 319.9
    formic acid 370.08
    diethyl ether 1089.99
    m-xylene 437.41
    p-xylene 309.39
    chlorobenzene 887.96
    dimethyl carbonate 546.3
    n-octane 19.28
    formamide 724.56
    cyclopentanone 2097.64
    2-pentanone 1054.97
    anisole 517.48
    cyclopentyl methyl ether 1077.89
    gamma-butyrolactone 2557.66
    1-methoxy-2-propanol 1006.65
    pyridine 1363.26
    3-pentanone 730.71
    furfural 1441.45
    n-dodecane 14.87
    diethylene glycol 765.02
    diisopropyl ether 353.34
    tert-amyl alcohol 419.85
    acetylacetone 1310.59
    n-hexadecane 17.76
    acetophenone 403.82
    methyl propionate 1127.93
    isopentyl acetate 670.2
    trichloroethylene 2951.24
    n-nonanol 150.38
    cyclohexanol 510.54
    benzyl alcohol 331.75
    2-ethylhexanol 243.62
    isooctanol 153.08
    dipropyl ether 399.29
    1,2-dichlorobenzene 709.45
    ethyl lactate 228.91
    propylene carbonate 1132.12
    n-methylformamide 1148.11
    2-pentanol 418.26
    n-pentane 66.64
    1-propoxy-2-propanol 684.86
    1-methoxy-2-propyl acetate 988.5
    2-(2-methoxypropoxy) propanol 370.59
    mesitylene 263.97
    ε-caprolactone 1134.25
    p-cymene 163.7
    epichlorohydrin 2824.29
    1,1,1-trichloroethane 1710.27
    2-aminoethanol 384.11
    morpholine-4-carbaldehyde 1079.27
    sulfolane 1330.81
    2,2,4-trimethylpentane 34.91
    2-methyltetrahydrofuran 1748.43
    n-hexyl acetate 501.49
    isooctane 44.32
    2-(2-butoxyethoxy)ethanol 610.22
    sec-butyl acetate 392.26
    tert-butyl acetate 870.98
    decalin 47.26
    glycerin 316.08
    diglyme 1168.4
    acrylic acid 574.37
    isopropyl myristate 176.92
    n-butyric acid 1034.25
    acetyl acetate 1032.12
    di(2-ethylhexyl) phthalate 146.89
    ethyl propionate 543.58
    nitromethane 1931.69
    1,2-diethoxyethane 866.11
    benzonitrile 620.53
    trioctyl phosphate 113.82
    1-bromopropane 910.16
    gamma-valerolactone 2085.88
    n-decanol 111.05
    triethyl phosphate 179.24
    4-methyl-2-pentanol 287.58
    propionitrile 1130.2
    vinylene carbonate 1097.81
    1,1,2-trichlorotrifluoroethane 886.49
    DMS 543.0
    cumene 149.19
    2-octanol 118.73
    2-hexanone 411.06
    octyl acetate 214.77
    limonene 203.65
    1,2-dimethoxyethane 916.81
    ethyl orthosilicate 176.53
    tributyl phosphate 155.85
    diacetone alcohol 698.38
    N,N-dimethylaniline 240.34
    acrylonitrile 1253.65
    aniline 700.46
    1,3-propanediol 715.85
    bromobenzene 910.23
    dibromomethane 1675.96
    1,1,2,2-tetrachloroethane 1783.23
    2-methyl-cyclohexyl acetate 314.11
    tetrabutyl urea 154.83
    diisobutyl methanol 178.96
    2-phenylethanol 499.16
    styrene 276.47
    dioctyl adipate 220.11
    dimethyl sulfate 520.48
    ethyl butyrate 513.6
    methyl lactate 416.1
    butyl lactate 274.89
    diethyl carbonate 350.58
    propanediol butyl ether 335.55
    triethyl orthoformate 317.54
    p-tert-butyltoluene 168.52
    methyl 4-tert-butylbenzoate 329.64
    morpholine 2170.61
    tert-butylamine 506.47
    n-dodecanol 82.63
    dimethoxymethane 1220.52
    ethylene carbonate 963.19
    cyrene 289.28
    2-ethoxyethyl acetate 693.89
    2-ethylhexyl acetate 469.31
    1,2,4-trichlorobenzene 765.58
    4-methylpyridine 1190.19
    dibutyl ether 258.18
    2,6-dimethyl-4-heptanol 178.96
    DEF 724.5
    dimethyl isosorbide 715.23
    tetrachloroethylene 1170.22
    eugenol 310.27
    triacetin 428.38
    span 80 281.26
    1,4-butanediol 165.42
    1,1-dichloroethane 1933.38
    2-methyl-1-pentanol 200.46
    methyl formate 998.96
    2-methyl-1-butanol 389.06
    n-decane 26.16
    butyronitrile 995.64
    3,7-dimethyl-1-octanol 188.84
    1-chlorooctane 132.78
    1-chlorotetradecane 50.05
    n-nonane 24.42
    undecane 19.22
    tert-butylcyclohexane 43.97
    cyclooctane 45.68
    cyclopentanol 633.28
    tetrahydropyran 1962.51
    tert-amyl methyl ether 411.7
    2,5,8-trioxanonane 617.56
    1-hexene 139.66
    2-isopropoxyethanol 368.36
    2,2,2-trifluoroethanol 442.77
    methyl butyrate 592.78

    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