(-)-alpha-Isocomene

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  • Identifiers

    CAS number
    65372-78-3

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@]2([C@]13CCC[C@]3(C=C2C)C)C

    Retention indicies (RI)

    • DB5: 1387.0

  • Odor profile

    Woody 86.07%
    Dry 50.24%
    Amber 49.85%
    Sweet 40.77%
    Cedar 36.22%
    Musk 34.78%
    Sandalwood 33.56%
    Spicy 33.55%
    Powdery 29.99%
    Vetiver 28.97%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point est.
    116.42 ˚C

  • Synonyms

    • (-)-alpha-isocomene
    • Berkheyaradulene
    • CHEBI:68666
    • (1R,3aS,5aS,8aR)-1,3a,4,5a-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
    • 65372-78-3
    • Cyclopenta(a)pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (S-(1alpha,3aalpha,5abeta,8aR*))-
    • Isocomene, (+/-)-
    • UF2Y987D5F
    • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo(6.3.0.01,5)undec-6-ene
    • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
    • (1R,3aS,5aS,8aR)-1,3a,4,5a-Tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta(c)pentalene
    • (+/-)-Isocomene
    • C20477
    • Q27137092
    • CYCLOPENTA(C)PENTALENE, 1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYL-, (1.ALPHA.,3A.ALPHA.,5A.BETA.,8AR*)-
    • CYCLOPENTA(C)PENTALENE, 1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYL-, (1.ALPHA.,3A.ALPHA.,5A.BETA.,8AR*)-(+/-)-
    • REL-(1R,3AS,5AS,8AR)-1,2,3,3A,5A,6,7,8-OCTAHYDRO-1,3A,4,5A-TETRAMETHYLCYCLOPENTA(C)PENTALENE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 221.62
    methanol 237.11
    isopropanol 179.96
    water 3.05
    ethyl acetate 453.31
    n-propanol 239.4
    acetone 517.55
    n-butanol 238.05
    acetonitrile 430.92
    DMF 591.59
    toluene 711.37
    isobutanol 187.62
    1,4-dioxane 934.22
    methyl acetate 382.8
    THF 1662.41
    2-butanone 429.27
    n-pentanol 138.62
    sec-butanol 160.81
    n-hexane 110.27
    ethylene glycol 54.97
    NMP 655.86
    cyclohexane 238.09
    DMSO 300.34
    n-butyl acetate 426.04
    n-octanol 141.81
    chloroform 1009.44
    n-propyl acetate 261.91
    acetic acid 185.09
    dichloromethane 932.68
    cyclohexanone 813.52
    propylene glycol 56.01
    isopropyl acetate 392.39
    DMAc 382.05
    2-ethoxyethanol 210.33
    isopentanol 212.53
    n-heptane 122.97
    ethyl formate 239.99
    1,2-dichloroethane 656.5
    n-hexanol 298.98
    2-methoxyethanol 352.71
    isobutyl acetate 246.93
    tetrachloromethane 345.14
    n-pentyl acetate 294.06
    transcutol 459.94
    n-heptanol 174.24
    ethylbenzene 267.3
    MIBK 381.95
    2-propoxyethanol 499.73
    tert-butanol 214.15
    MTBE 359.82
    2-butoxyethanol 284.11
    propionic acid 195.74
    o-xylene 353.06
    formic acid 72.52
    diethyl ether 548.41
    m-xylene 497.29
    p-xylene 330.08
    chlorobenzene 616.24
    dimethyl carbonate 276.87
    n-octane 50.89
    formamide 126.64
    cyclopentanone 1075.13
    2-pentanone 456.24
    anisole 434.77
    cyclopentyl methyl ether 839.42
    gamma-butyrolactone 996.14
    1-methoxy-2-propanol 307.29
    pyridine 795.89
    3-pentanone 414.54
    furfural 698.89
    n-dodecane 35.27
    diethylene glycol 265.53
    diisopropyl ether 265.24
    tert-amyl alcohol 167.08
    acetylacetone 562.69
    n-hexadecane 42.41
    acetophenone 323.48
    methyl propionate 413.01
    isopentyl acetate 423.45
    trichloroethylene 980.42
    n-nonanol 140.24
    cyclohexanol 290.18
    benzyl alcohol 222.94
    2-ethylhexanol 221.64
    isooctanol 152.99
    dipropyl ether 411.99
    1,2-dichlorobenzene 556.0
    ethyl lactate 131.66
    propylene carbonate 466.54
    n-methylformamide 303.51
    2-pentanol 179.16
    n-pentane 129.99
    1-propoxy-2-propanol 341.24
    1-methoxy-2-propyl acetate 514.5
    2-(2-methoxypropoxy) propanol 222.44
    mesitylene 371.26
    ε-caprolactone 612.12
    p-cymene 230.32
    epichlorohydrin 910.64
    1,1,1-trichloroethane 702.59
    2-aminoethanol 100.79
    morpholine-4-carbaldehyde 683.67
    sulfolane 807.38
    2,2,4-trimethylpentane 65.8
    2-methyltetrahydrofuran 884.24
    n-hexyl acetate 340.19
    isooctane 76.83
    2-(2-butoxyethoxy)ethanol 271.0
    sec-butyl acetate 229.99
    tert-butyl acetate 467.38
    decalin 116.3
    glycerin 92.01
    diglyme 577.03
    acrylic acid 171.77
    isopropyl myristate 187.86
    n-butyric acid 298.1
    acetyl acetate 368.77
    di(2-ethylhexyl) phthalate 148.56
    ethyl propionate 299.31
    nitromethane 421.09
    1,2-diethoxyethane 344.84
    benzonitrile 413.02
    trioctyl phosphate 122.6
    1-bromopropane 468.05
    gamma-valerolactone 1020.93
    n-decanol 107.3
    triethyl phosphate 180.91
    4-methyl-2-pentanol 154.94
    propionitrile 433.94
    vinylene carbonate 472.18
    1,1,2-trichlorotrifluoroethane 377.19
    DMS 356.63
    cumene 199.78
    2-octanol 118.6
    2-hexanone 269.89
    octyl acetate 198.12
    limonene 287.48
    1,2-dimethoxyethane 455.58
    ethyl orthosilicate 192.01
    tributyl phosphate 140.15
    diacetone alcohol 300.89
    N,N-dimethylaniline 294.12
    acrylonitrile 475.05
    aniline 419.68
    1,3-propanediol 166.52
    bromobenzene 732.84
    dibromomethane 676.05
    1,1,2,2-tetrachloroethane 644.29
    2-methyl-cyclohexyl acetate 295.01
    tetrabutyl urea 169.53
    diisobutyl methanol 164.3
    2-phenylethanol 340.71
    styrene 319.18
    dioctyl adipate 209.68
    dimethyl sulfate 334.61
    ethyl butyrate 333.04
    methyl lactate 169.87
    butyl lactate 169.31
    diethyl carbonate 214.83
    propanediol butyl ether 147.34
    triethyl orthoformate 265.2
    p-tert-butyltoluene 239.37
    methyl 4-tert-butylbenzoate 371.31
    morpholine 808.16
    tert-butylamine 188.78
    n-dodecanol 85.1
    dimethoxymethane 701.06
    ethylene carbonate 432.61
    cyrene 233.82
    2-ethoxyethyl acetate 359.4
    2-ethylhexyl acetate 369.33
    1,2,4-trichlorobenzene 564.09
    4-methylpyridine 755.39
    dibutyl ether 235.67
    2,6-dimethyl-4-heptanol 164.3
    DEF 421.98
    dimethyl isosorbide 486.97
    tetrachloroethylene 527.5
    eugenol 286.29
    triacetin 303.77
    span 80 193.9
    1,4-butanediol 65.81
    1,1-dichloroethane 587.1
    2-methyl-1-pentanol 137.54
    methyl formate 270.7
    2-methyl-1-butanol 193.14
    n-decane 60.24
    butyronitrile 424.76
    3,7-dimethyl-1-octanol 157.61
    1-chlorooctane 166.57
    1-chlorotetradecane 79.69
    n-nonane 57.15
    undecane 44.84
    tert-butylcyclohexane 102.74
    cyclooctane 133.43
    cyclopentanol 314.17
    tetrahydropyran 914.45
    tert-amyl methyl ether 277.58
    2,5,8-trioxanonane 372.02
    1-hexene 207.18
    2-isopropoxyethanol 170.12
    2,2,2-trifluoroethanol 117.52
    methyl butyrate 307.86

    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

Botanical

Name CAS Botanical Proportion
Eugenia ovalifolia leaf Eugenia ovalifolia Camb., fam. Myrtaceae 0.7%
Porophyllum ruderale (Brazil) 1b root Porophyllum ruderale Sass, fam. Asteraceae (Compositae) 16.8%
Calamus (Turkey) Acorus calamus L., fam. Araceae 0.4%
Conyza bonariensis (Brazil) Conyza bonariensis (L.) Cronquist, fam. Asteraceae (Compositae) 0.1%