Collybial

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  • Identifiers

    CAS number
    164300-75-8

    Molecular formula
    C15H20O2

    SMILES
    CC1(CC2C1CC=C(C3C2(CC3=O)C)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.53%
    Spicy 42.03%
    Cedar 41.43%
    Amber 34.66%
    Dry 33.23%
    Tobacco 30.67%
    Mint 30.21%
    Camphoreous 30.12%
    Green 29.12%
    Fresh 28.4%

     

    Flavor
    Bitter 54.44%
    Minty 27.59%
    Spicy 27.39%
    Spice 25.79%
    Cedarleaf 21.82%
    Sweet 21.48%
    Basil 20.93%
    Fresh 20.44%
    Lovage 20.28%
    Ripe apricot 20.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.44 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    367°C

    Melting point expt.

    • 121 °C

    Flash point

    • 116.28 ˚C est.

  • Synonyms

    • Collybial
    • 2,10,10-trimethyl-4-oxotricyclo(7.2.0.02,5)undec-6-ene-6-carbaldehyde
    • 2,10,10-trimethyl-4-oxotricyclo[7.2.0.02,5]undec-6-ene-6-carbaldehyde
    • RefChem:918934
    • SCHEMBL29859890
    • CHEBI:189928
    • DTXSID101114752
    • 2,10,10-Trimethyl-4-oxotricyclo[7.2.0.0~2,5~]undec-6-ene-6-carbaldehyde
    • 2,10,10-Trimethyl-4-oxotricyclo[7.2.0.02,5]undec-6-ene-6-carboxaldehyde, 9CI
    • 164300-75-8
    • Tricyclo[7.2.0.02,5]undec-6-ene-6-carboxaldehyde, 2,10,10-trimethyl-4-oxo-, (1R,2S,5S,9S)-rel-(+)-
    • 164300-75-8

  • Applications

    Collybial (CAS 164300-75-8) is applied in industrial formulations as a solvent and processing aid and can act as an intermediate in chemical synthesis. In coatings and inks it serves as a solvent component or formulation aid; in polymers and plastics it can function as a processing aid or stabilizer; in cleaning formulations it is used as a solvent to dissolve residues; and it may be evaluated for use in electronics manufacturing as a cleaner or solvent, with use subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.67
    methanol 167.62
    isopropanol 103.56
    water 1.95
    ethyl acetate 254.22
    n-propanol 130.11
    acetone 373.81
    n-butanol 102.95
    acetonitrile 233.98
    DMF 505.12
    toluene 216.92
    isobutanol 86.89
    1,4-dioxane 328.16
    methyl acetate 264.09
    THF 678.47
    2-butanone 340.89
    n-pentanol 55.66
    sec-butanol 82.04
    n-hexane 7.42
    ethylene glycol 69.99
    NMP 402.96
    cyclohexane 16.85
    DMSO 449.41
    n-butyl acetate 136.98
    n-octanol 41.62
    chloroform 735.96
    n-propyl acetate 135.47
    acetic acid 147.08
    dichloromethane 590.99
    cyclohexanone 349.42
    propylene glycol 73.08
    isopropyl acetate 162.44
    DMAc 344.15
    2-ethoxyethanol 146.81
    isopentanol 90.69
    n-heptane 4.96
    ethyl formate 166.92
    1,2-dichloroethane 417.82
    n-hexanol 90.22
    2-methoxyethanol 263.49
    isobutyl acetate 92.23
    tetrachloromethane 112.6
    n-pentyl acetate 96.3
    transcutol 409.31
    n-heptanol 48.43
    ethylbenzene 96.43
    MIBK 156.67
    2-propoxyethanol 204.65
    tert-butanol 105.94
    MTBE 106.35
    2-butoxyethanol 124.51
    propionic acid 149.97
    o-xylene 116.77
    formic acid 115.66
    diethyl ether 152.45
    m-xylene 135.95
    p-xylene 108.71
    chlorobenzene 272.83
    dimethyl carbonate 184.85
    n-octane 2.32
    formamide 197.89
    cyclopentanone 573.72
    2-pentanone 252.22
    anisole 203.16
    cyclopentyl methyl ether 225.25
    gamma-butyrolactone 582.91
    1-methoxy-2-propanol 225.21
    pyridine 415.37
    3-pentanone 200.46
    furfural 507.31
    n-dodecane 1.8
    diethylene glycol 189.89
    diisopropyl ether 45.24
    tert-amyl alcohol 77.74
    acetylacetone 303.17
    n-hexadecane 2.2
    acetophenone 194.58
    methyl propionate 254.1
    isopentyl acetate 130.01
    trichloroethylene 838.49
    n-nonanol 37.56
    cyclohexanol 104.44
    benzyl alcohol 153.87
    2-ethylhexanol 51.07
    isooctanol 41.42
    dipropyl ether 58.43
    1,2-dichlorobenzene 233.77
    ethyl lactate 96.6
    propylene carbonate 305.31
    n-methylformamide 296.59
    2-pentanol 70.0
    n-pentane 9.05
    1-propoxy-2-propanol 138.56
    1-methoxy-2-propyl acetate 206.12
    2-(2-methoxypropoxy) propanol 121.11
    mesitylene 70.69
    ε-caprolactone 296.18
    p-cymene 47.4
    epichlorohydrin 679.91
    1,1,1-trichloroethane 346.96
    2-aminoethanol 98.09
    morpholine-4-carbaldehyde 369.59
    sulfolane 543.43
    2,2,4-trimethylpentane 5.5
    2-methyltetrahydrofuran 324.49
    n-hexyl acetate 127.47
    isooctane 5.05
    2-(2-butoxyethoxy)ethanol 154.05
    sec-butyl acetate 102.87
    tert-butyl acetate 158.96
    decalin 10.93
    glycerin 128.47
    diglyme 306.33
    acrylic acid 166.1
    isopropyl myristate 42.49
    n-butyric acid 182.88
    acetyl acetate 184.47
    di(2-ethylhexyl) phthalate 55.24
    ethyl propionate 137.16
    nitromethane 401.21
    1,2-diethoxyethane 115.58
    benzonitrile 212.67
    trioctyl phosphate 39.21
    1-bromopropane 183.48
    gamma-valerolactone 560.8
    n-decanol 25.84
    triethyl phosphate 61.39
    4-methyl-2-pentanol 53.48
    propionitrile 185.97
    vinylene carbonate 300.52
    1,1,2-trichlorotrifluoroethane 380.46
    DMS 176.57
    cumene 57.57
    2-octanol 30.49
    2-hexanone 134.91
    octyl acetate 57.3
    limonene 50.98
    1,2-dimethoxyethane 246.57
    ethyl orthosilicate 53.39
    tributyl phosphate 47.88
    diacetone alcohol 187.37
    N,N-dimethylaniline 117.78
    acrylonitrile 273.84
    aniline 222.09
    1,3-propanediol 131.48
    bromobenzene 267.39
    dibromomethane 365.43
    1,1,2,2-tetrachloroethane 554.82
    2-methyl-cyclohexyl acetate 88.42
    tetrabutyl urea 57.6
    diisobutyl methanol 35.23
    2-phenylethanol 155.21
    styrene 114.86
    dioctyl adipate 65.72
    dimethyl sulfate 283.07
    ethyl butyrate 97.87
    methyl lactate 166.53
    butyl lactate 97.5
    diethyl carbonate 81.1
    propanediol butyl ether 120.42
    triethyl orthoformate 69.31
    p-tert-butyltoluene 44.28
    methyl 4-tert-butylbenzoate 134.42
    morpholine 357.34
    tert-butylamine 57.25
    n-dodecanol 17.78
    dimethoxymethane 305.4
    ethylene carbonate 236.11
    cyrene 151.17
    2-ethoxyethyl acetate 165.1
    2-ethylhexyl acetate 100.81
    1,2,4-trichlorobenzene 286.87
    4-methylpyridine 396.08
    dibutyl ether 38.4
    2,6-dimethyl-4-heptanol 35.23
    DEF 203.74
    dimethyl isosorbide 222.58
    tetrachloroethylene 357.63
    eugenol 135.29
    triacetin 145.7
    span 80 94.76
    1,4-butanediol 52.52
    1,1-dichloroethane 375.22
    2-methyl-1-pentanol 55.64
    methyl formate 262.96
    2-methyl-1-butanol 78.2
    n-decane 3.43
    butyronitrile 157.25
    3,7-dimethyl-1-octanol 45.21
    1-chlorooctane 26.67
    1-chlorotetradecane 8.2
    n-nonane 3.11
    undecane 2.41
    tert-butylcyclohexane 9.11
    cyclooctane 6.62
    cyclopentanol 134.67
    tetrahydropyran 290.74
    tert-amyl methyl ether 84.12
    2,5,8-trioxanonane 176.89
    1-hexene 34.11
    2-isopropoxyethanol 104.68
    2,2,2-trifluoroethanol 128.99
    methyl butyrate 163.86

    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