Modhephene

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  • Identifiers

    CAS number
    68269-87-4

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.85%
    Dry 54.02%
    Amber 53.35%
    Sweet 40.84%
    Cedar 40.21%
    Musk 36.31%
    Spicy 35.37%
    Sandalwood 34.92%
    Vetiver 32.64%
    Powdery 30.82%

     

    Flavor
    Woody 61.7%
    Sweet 59.73%
    Dry 45.74%
    Camphor 43.51%
    Pine 38.38%
    Wood 34.49%
    Earthy 33.4%
    Fresh 32.02%
    Fir needle 29.25%
    Balsam 28.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    10.0 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    245°C

    Flash point

    • 114.39 ˚C est.

  • Synonyms

    • Modhephene
    • 68269-87-4
    • RefChem:926020
    • (-)-Modhephene
    • (1R,5S,8R)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
    • Modephene
    • modheph-2-ene
    • 1H,4H-3a,6a-Propanopentalene, 5,6-dihydro-1,1,3,4-tetramethyl-, (3aR,4R,6aS)-
    • SCHEMBL29500470
    • APGXRXFCBZKIAN-BYCMXARLSA-N
    • 68269-87-4

  • Applications

    Modhephene (CAS 68269-87-4) is typically used as a building block or processing aid in organic synthesis for specialty chemicals and may function as a solvent or co-solvent in industrial manufacturing. It can act as a stabilizer or processing aid in polymers and plastics, and may be employed as an additive in coatings and inks or in adhesive formulations to influence processing and performance. In fragrance-related applications, it may be evaluated as an odorant or fixative ingredient, subject to formulation rules and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 220.42
    methanol 236.81
    isopropanol 182.57
    water 2.82
    ethyl acetate 469.6
    n-propanol 246.43
    acetone 547.78
    n-butanol 241.1
    acetonitrile 458.23
    DMF 612.73
    toluene 754.05
    isobutanol 194.07
    1,4-dioxane 941.44
    methyl acetate 397.41
    THF 1743.48
    2-butanone 448.03
    n-pentanol 142.17
    sec-butanol 163.52
    n-hexane 125.68
    ethylene glycol 54.9
    NMP 679.21
    cyclohexane 271.74
    DMSO 312.15
    n-butyl acetate 460.42
    n-octanol 149.36
    chloroform 1056.22
    n-propyl acetate 278.12
    acetic acid 186.87
    dichloromethane 971.13
    cyclohexanone 856.26
    propylene glycol 55.55
    isopropyl acetate 409.59
    DMAc 397.49
    2-ethoxyethanol 207.53
    isopentanol 215.04
    n-heptane 140.38
    ethyl formate 250.63
    1,2-dichloroethane 702.12
    n-hexanol 311.48
    2-methoxyethanol 349.35
    isobutyl acetate 264.81
    tetrachloromethane 367.7
    n-pentyl acetate 317.41
    transcutol 446.9
    n-heptanol 184.21
    ethylbenzene 280.97
    MIBK 394.84
    2-propoxyethanol 507.44
    tert-butanol 220.62
    MTBE 380.37
    2-butoxyethanol 291.46
    propionic acid 201.41
    o-xylene 368.55
    formic acid 68.82
    diethyl ether 579.1
    m-xylene 523.97
    p-xylene 350.02
    chlorobenzene 640.43
    dimethyl carbonate 287.07
    n-octane 58.41
    formamide 120.6
    cyclopentanone 1132.69
    2-pentanone 478.22
    anisole 441.01
    cyclopentyl methyl ether 900.45
    gamma-butyrolactone 1050.32
    1-methoxy-2-propanol 309.18
    pyridine 829.6
    3-pentanone 437.14
    furfural 704.81
    n-dodecane 38.91
    diethylene glycol 264.48
    diisopropyl ether 280.2
    tert-amyl alcohol 172.5
    acetylacetone 577.05
    n-hexadecane 47.09
    acetophenone 330.33
    methyl propionate 428.65
    isopentyl acetate 451.18
    trichloroethylene 1027.13
    n-nonanol 146.38
    cyclohexanol 301.35
    benzyl alcohol 224.89
    2-ethylhexanol 234.89
    isooctanol 161.67
    dipropyl ether 441.02
    1,2-dichlorobenzene 579.52
    ethyl lactate 135.31
    propylene carbonate 489.4
    n-methylformamide 310.55
    2-pentanol 181.22
    n-pentane 148.91
    1-propoxy-2-propanol 352.55
    1-methoxy-2-propyl acetate 528.43
    2-(2-methoxypropoxy) propanol 221.51
    mesitylene 392.87
    ε-caprolactone 637.34
    p-cymene 246.06
    epichlorohydrin 958.17
    1,1,1-trichloroethane 746.24
    2-aminoethanol 98.97
    morpholine-4-carbaldehyde 676.48
    sulfolane 848.69
    2,2,4-trimethylpentane 73.09
    2-methyltetrahydrofuran 942.44
    n-hexyl acetate 361.38
    isooctane 83.71
    2-(2-butoxyethoxy)ethanol 270.45
    sec-butyl acetate 239.58
    tert-butyl acetate 481.38
    decalin 126.68
    glycerin 89.72
    diglyme 577.72
    acrylic acid 176.29
    isopropyl myristate 196.36
    n-butyric acid 306.98
    acetyl acetate 380.34
    di(2-ethylhexyl) phthalate 151.52
    ethyl propionate 310.94
    nitromethane 427.06
    1,2-diethoxyethane 358.37
    benzonitrile 424.68
    trioctyl phosphate 128.16
    1-bromopropane 499.88
    gamma-valerolactone 1034.54
    n-decanol 111.84
    triethyl phosphate 186.43
    4-methyl-2-pentanol 157.82
    propionitrile 459.93
    vinylene carbonate 492.18
    1,1,2-trichlorotrifluoroethane 383.95
    DMS 378.21
    cumene 209.34
    2-octanol 127.27
    2-hexanone 287.57
    octyl acetate 208.06
    limonene 309.32
    1,2-dimethoxyethane 463.27
    ethyl orthosilicate 199.1
    tributyl phosphate 146.38
    diacetone alcohol 305.0
    N,N-dimethylaniline 302.61
    acrylonitrile 499.86
    aniline 424.03
    1,3-propanediol 162.7
    bromobenzene 771.54
    dibromomethane 718.97
    1,1,2,2-tetrachloroethane 680.88
    2-methyl-cyclohexyl acetate 308.15
    tetrabutyl urea 177.47
    diisobutyl methanol 172.09
    2-phenylethanol 347.68
    styrene 334.17
    dioctyl adipate 215.44
    dimethyl sulfate 347.11
    ethyl butyrate 353.86
    methyl lactate 173.51
    butyl lactate 177.92
    diethyl carbonate 226.49
    propanediol butyl ether 149.98
    triethyl orthoformate 279.04
    p-tert-butyltoluene 256.23
    methyl 4-tert-butylbenzoate 379.71
    morpholine 829.62
    tert-butylamine 196.58
    n-dodecanol 89.85
    dimethoxymethane 720.11
    ethylene carbonate 453.74
    cyrene 231.5
    2-ethoxyethyl acetate 374.56
    2-ethylhexyl acetate 395.62
    1,2,4-trichlorobenzene 577.2
    4-methylpyridine 790.3
    dibutyl ether 255.08
    2,6-dimethyl-4-heptanol 172.09
    DEF 441.04
    dimethyl isosorbide 493.46
    tetrachloroethylene 559.21
    eugenol 287.89
    triacetin 306.92
    span 80 195.41
    1,4-butanediol 65.74
    1,1-dichloroethane 628.98
    2-methyl-1-pentanol 139.35
    methyl formate 282.46
    2-methyl-1-butanol 194.6
    n-decane 67.39
    butyronitrile 444.79
    3,7-dimethyl-1-octanol 165.64
    1-chlorooctane 181.76
    1-chlorotetradecane 86.27
    n-nonane 65.18
    undecane 49.69
    tert-butylcyclohexane 112.94
    cyclooctane 155.57
    cyclopentanol 333.79
    tetrahydropyran 979.67
    tert-amyl methyl ether 295.6
    2,5,8-trioxanonane 369.94
    1-hexene 227.98
    2-isopropoxyethanol 169.7
    2,2,2-trifluoroethanol 117.83
    methyl butyrate 321.59

    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