3,3,4-Trimethyltricyclo[2.2.1.02,6]heptane

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  • Identifiers

    CAS number
    39546-15-1

    Molecular formula
    C10H16

    SMILES
    CC1(C2C3C2CC1(C3)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.76%
    Dry 46.86%
    Amber 44.7%
    Herbal 39.27%
    Cedar 39.21%
    Balsamic 38.3%
    Spicy 37.93%
    Vetiver 37.79%
    Sandalwood 37.74%
    Fresh 36.65%

     

    Flavor
    Woody 70.82%
    Camphor 51.27%
    Pine 41.5%
    Sweet 40.34%
    Herbal 40.16%
    Balsam 36.82%
    Earthy 34.83%
    Fir needle 31.37%
    Medical 31.18%
    Dry 31.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.38 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • -1.93 ˚C est.

  • Synonyms

    • 3,3,4-Trimethyltricyclo[2.2.1.02,6]heptane
    • 39546-15-1
    • 4,7,7-trimethyltricyclo[2.2.1.02,6]heptane
    • 39546-15-1

  • Applications

    3,3,4-Trimethyltricyclo[2.2.1.02,6]heptane (CAS 39546-15-1) is a nonpolar hydrocarbon that is commonly considered for fragrance applications and can serve as an odorant and/or fragrance fixative in perfumery; it may also be used as a nonpolar solvent or processing aid in industrial manufacturing, for example in coatings, inks, and adhesives; additionally, due to its rigid tricyclic framework, it may appear as a fragrance component in cosmetics/personal care and household products, or as a solvent in cleaning formulations; in polymers and plastics processing, it can function as a processing aid or diluent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 440.08
    methanol 436.48
    isopropanol 405.61
    water 9.74
    ethyl acetate 724.7
    n-propanol 415.57
    acetone 639.0
    n-butanol 382.7
    acetonitrile 640.83
    DMF 651.38
    toluene 457.96
    isobutanol 314.19
    1,4-dioxane 1074.26
    methyl acetate 729.21
    THF 999.2
    2-butanone 572.72
    n-pentanol 226.01
    sec-butanol 325.68
    n-hexane 121.39
    ethylene glycol 147.37
    NMP 325.26
    cyclohexane 164.67
    DMSO 335.99
    n-butyl acetate 428.88
    n-octanol 175.19
    chloroform 1239.15
    n-propyl acetate 354.01
    acetic acid 341.11
    dichloromethane 926.23
    cyclohexanone 484.65
    propylene glycol 178.97
    isopropyl acetate 592.61
    DMAc 580.77
    2-ethoxyethanol 384.65
    isopentanol 323.11
    n-heptane 110.01
    ethyl formate 379.7
    1,2-dichloroethane 603.36
    n-hexanol 333.18
    2-methoxyethanol 588.47
    isobutyl acetate 284.93
    tetrachloromethane 401.97
    n-pentyl acetate 268.0
    transcutol 946.33
    n-heptanol 192.79
    ethylbenzene 294.77
    MIBK 416.72
    2-propoxyethanol 592.95
    tert-butanol 438.47
    MTBE 621.12
    2-butoxyethanol 368.17
    propionic acid 332.24
    o-xylene 329.37
    formic acid 175.46
    diethyl ether 643.58
    m-xylene 369.25
    p-xylene 416.18
    chlorobenzene 466.28
    dimethyl carbonate 397.15
    n-octane 54.5
    formamide 382.65
    cyclopentanone 596.81
    2-pentanone 482.21
    anisole 575.8
    cyclopentyl methyl ether 481.85
    gamma-butyrolactone 632.53
    1-methoxy-2-propanol 525.98
    pyridine 670.55
    3-pentanone 460.81
    furfural 559.54
    n-dodecane 40.24
    diethylene glycol 395.15
    diisopropyl ether 354.01
    tert-amyl alcohol 329.38
    acetylacetone 666.54
    n-hexadecane 46.17
    acetophenone 406.05
    methyl propionate 542.17
    isopentyl acetate 426.15
    trichloroethylene 940.13
    n-nonanol 182.73
    cyclohexanol 269.2
    benzyl alcohol 294.44
    2-ethylhexanol 221.37
    isooctanol 173.28
    dipropyl ether 430.35
    1,2-dichlorobenzene 441.13
    ethyl lactate 188.73
    propylene carbonate 394.31
    n-methylformamide 462.1
    2-pentanol 297.86
    n-pentane 142.0
    1-propoxy-2-propanol 458.89
    1-methoxy-2-propyl acetate 645.66
    2-(2-methoxypropoxy) propanol 346.06
    mesitylene 278.36
    ε-caprolactone 442.76
    p-cymene 219.34
    epichlorohydrin 716.32
    1,1,1-trichloroethane 817.86
    2-aminoethanol 275.28
    morpholine-4-carbaldehyde 584.9
    sulfolane 391.5
    2,2,4-trimethylpentane 76.22
    2-methyltetrahydrofuran 609.82
    n-hexyl acetate 345.37
    isooctane 82.21
    2-(2-butoxyethoxy)ethanol 429.22
    sec-butyl acetate 332.98
    tert-butyl acetate 602.9
    decalin 108.27
    glycerin 211.11
    diglyme 805.91
    acrylic acid 294.66
    isopropyl myristate 194.96
    n-butyric acid 401.64
    acetyl acetate 612.7
    di(2-ethylhexyl) phthalate 144.91
    ethyl propionate 419.97
    nitromethane 675.93
    1,2-diethoxyethane 602.58
    benzonitrile 349.06
    trioctyl phosphate 102.99
    1-bromopropane 425.48
    gamma-valerolactone 757.83
    n-decanol 143.05
    triethyl phosphate 213.26
    4-methyl-2-pentanol 244.44
    propionitrile 529.16
    vinylene carbonate 462.17
    1,1,2-trichlorotrifluoroethane 460.07
    DMS 419.79
    cumene 236.42
    2-octanol 133.28
    2-hexanone 318.87
    octyl acetate 209.52
    limonene 230.72
    1,2-dimethoxyethane 702.75
    ethyl orthosilicate 226.14
    tributyl phosphate 132.68
    diacetone alcohol 406.27
    N,N-dimethylaniline 384.42
    acrylonitrile 574.96
    aniline 430.19
    1,3-propanediol 345.5
    bromobenzene 533.06
    dibromomethane 637.53
    1,1,2,2-tetrachloroethane 743.57
    2-methyl-cyclohexyl acetate 276.38
    tetrabutyl urea 147.54
    diisobutyl methanol 198.8
    2-phenylethanol 365.58
    styrene 334.89
    dioctyl adipate 201.27
    dimethyl sulfate 358.8
    ethyl butyrate 405.1
    methyl lactate 283.28
    butyl lactate 198.7
    diethyl carbonate 321.56
    propanediol butyl ether 223.97
    triethyl orthoformate 320.34
    p-tert-butyltoluene 237.49
    methyl 4-tert-butylbenzoate 352.32
    morpholine 865.49
    tert-butylamine 364.69
    n-dodecanol 113.18
    dimethoxymethane 671.54
    ethylene carbonate 425.38
    cyrene 209.5
    2-ethoxyethyl acetate 456.36
    2-ethylhexyl acetate 340.45
    1,2,4-trichlorobenzene 452.48
    4-methylpyridine 575.56
    dibutyl ether 277.08
    2,6-dimethyl-4-heptanol 198.8
    DEF 441.8
    dimethyl isosorbide 514.67
    tetrachloroethylene 562.01
    eugenol 300.41
    triacetin 375.98
    span 80 255.05
    1,4-butanediol 140.62
    1,1-dichloroethane 729.32
    2-methyl-1-pentanol 204.85
    methyl formate 364.34
    2-methyl-1-butanol 285.13
    n-decane 63.9
    butyronitrile 429.48
    3,7-dimethyl-1-octanol 208.73
    1-chlorooctane 163.85
    1-chlorotetradecane 86.11
    n-nonane 58.85
    undecane 49.31
    tert-butylcyclohexane 107.65
    cyclooctane 97.17
    cyclopentanol 283.09
    tetrahydropyran 696.81
    tert-amyl methyl ether 408.62
    2,5,8-trioxanonane 525.64
    1-hexene 225.2
    2-isopropoxyethanol 308.92
    2,2,2-trifluoroethanol 241.8
    methyl butyrate 401.68

    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