Sibirene

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  • Identifiers

    CAS number
    14029-18-6

    Molecular formula
    C15H24

    SMILES
    CC(C)C1=CC2C(=C)CCCC2(CC1)C

  • Odor profile

    Woody 80.53%
    Spicy 59.15%
    Herbal 50.9%
    Green 49.19%
    Citrus 42.33%
    Terpenic 40.98%
    Dry 40.87%
    Fresh 40.64%
    Sweet 39.54%
    Oily 36.64%

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  • Properties

    XLogP3-AA
    4.6

    pKa est.
    9.43 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point est.
    101.69 ˚C

  • Synonyms

    • sibirene
    • CHEBI:49231
    • 7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • (5xi,10xi)-eudesma-4(14),6-diene
    • (5xi,10xi)-eudesma-4(14),6-diene 4a-methyl-7-(propan-2-yl)-1-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • 8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,7,8-hexahydronaphthalene
    • 4a-methyl-7-(propan-2-yl)-1-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
    • Selina-4(15),6-diene
    • ALUIZDJKPCNAGJ-UHFFFAOYSA-N
    • LMPR0103190005
    • Q27121549
    • 14029-18-6

  • Applications

    Sibirene (CAS 14029-18-6) is a natural sesquiterpene hydrocarbon found in certain coniferous and herbal essential oils; in practice it is used primarily as a fragrance ingredient imparting woody–resinous, pine-like depth to woody, amber, and balsamic accords and is dosed at trace levels in candles, soaps, cleaners, and personal care products; in laboratories it serves as a GC–MS reference/marker for essential-oil profiling, a chemotaxonomic indicator for raw-material authentication, and a starting point for oxidation/derivatization to generate aroma and bioactive analogues; it is also investigated for antimicrobial and antioxidant potential, for roles as a plant semiochemical affecting insect behavior, and for BVOC atmospheric-oxidation kinetics, though these biofunctional applications remain research-stage and require context-specific safety and regulatory evaluation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 272.93
    methanol 113.56
    isopropanol 297.06
    water 0.03
    ethyl acetate 685.19
    n-propanol 313.45
    acetone 481.19
    n-butanol 421.59
    acetonitrile 229.29
    DMF 321.61
    toluene 1172.65
    isobutanol 242.02
    1,4-dioxane 1474.78
    methyl acetate 381.81
    THF 2513.11
    2-butanone 591.22
    n-pentanol 205.99
    sec-butanol 256.83
    n-hexane 190.28
    ethylene glycol 7.61
    NMP 274.24
    cyclohexane 510.24
    DMSO 161.11
    n-butyl acetate 1317.49
    n-octanol 235.36
    chloroform 1040.86
    n-propyl acetate 364.33
    acetic acid 85.68
    dichloromethane 951.74
    cyclohexanone 884.71
    propylene glycol 23.79
    isopropyl acetate 585.3
    DMAc 283.61
    2-ethoxyethanol 161.19
    isopentanol 386.19
    n-heptane 381.01
    ethyl formate 221.72
    1,2-dichloroethane 627.87
    n-hexanol 686.01
    2-methoxyethanol 275.85
    isobutyl acetate 336.29
    tetrachloromethane 233.92
    n-pentyl acetate 467.39
    transcutol 1372.41
    n-heptanol 237.11
    ethylbenzene 362.69
    MIBK 481.67
    2-propoxyethanol 585.97
    tert-butanol 405.6
    MTBE 949.65
    2-butoxyethanol 280.02
    propionic acid 101.03
    o-xylene 431.92
    formic acid 9.45
    diethyl ether 1151.58
    m-xylene 653.92
    p-xylene 422.33
    chlorobenzene 622.92
    dimethyl carbonate 125.36
    n-octane 93.3
    formamide 23.99
    cyclopentanone 844.36
    2-pentanone 656.86
    anisole 492.45
    cyclopentyl methyl ether 1043.45
    gamma-butyrolactone 586.74
    1-methoxy-2-propanol 309.99
    pyridine 1058.65
    3-pentanone 470.41
    furfural 392.04
    n-dodecane 56.47
    diethylene glycol 142.23
    diisopropyl ether 446.6
    tert-amyl alcohol 291.36
    acetylacetone 507.6
    n-hexadecane 69.2
    acetophenone 333.26
    methyl propionate 367.33
    isopentyl acetate 1095.29
    trichloroethylene 919.6
    n-nonanol 234.31
    cyclohexanol 400.37
    benzyl alcohol 199.51
    2-ethylhexanol 549.1
    isooctanol 210.91
    dipropyl ether 1272.59
    1,2-dichlorobenzene 422.92
    ethyl lactate 81.77
    propylene carbonate 370.0
    n-methylformamide 95.79
    2-pentanol 298.92
    n-pentane 223.78
    1-propoxy-2-propanol 621.51
    1-methoxy-2-propyl acetate 810.16
    2-(2-methoxypropoxy) propanol 344.56
    mesitylene 396.08
    ε-caprolactone 616.88
    p-cymene 393.92
    epichlorohydrin 804.02
    1,1,1-trichloroethane 634.48
    2-aminoethanol 34.5
    morpholine-4-carbaldehyde 435.14
    sulfolane 353.53
    2,2,4-trimethylpentane 90.1
    2-methyltetrahydrofuran 1575.44
    n-hexyl acetate 604.1
    isooctane 113.86
    2-(2-butoxyethoxy)ethanol 457.78
    sec-butyl acetate 332.88
    tert-butyl acetate 638.1
    decalin 143.95
    glycerin 29.08
    diglyme 903.13
    acrylic acid 52.44
    isopropyl myristate 291.64
    n-butyric acid 339.62
    acetyl acetate 340.16
    di(2-ethylhexyl) phthalate 201.97
    ethyl propionate 331.09
    nitromethane 156.73
    1,2-diethoxyethane 1229.33
    benzonitrile 385.88
    trioctyl phosphate 144.64
    1-bromopropane 756.93
    gamma-valerolactone 783.6
    n-decanol 178.66
    triethyl phosphate 201.84
    4-methyl-2-pentanol 241.77
    propionitrile 356.84
    vinylene carbonate 304.23
    1,1,2-trichlorotrifluoroethane 184.68
    DMS 304.95
    cumene 230.29
    2-octanol 170.16
    2-hexanone 399.27
    octyl acetate 320.04
    limonene 600.22
    1,2-dimethoxyethane 638.28
    ethyl orthosilicate 235.24
    tributyl phosphate 181.08
    diacetone alcohol 353.58
    N,N-dimethylaniline 303.96
    acrylonitrile 235.7
    aniline 494.29
    1,3-propanediol 115.19
    bromobenzene 810.54
    dibromomethane 768.93
    1,1,2,2-tetrachloroethane 649.74
    2-methyl-cyclohexyl acetate 475.6
    tetrabutyl urea 236.38
    diisobutyl methanol 342.08
    2-phenylethanol 415.52
    styrene 430.83
    dioctyl adipate 314.57
    dimethyl sulfate 103.66
    ethyl butyrate 734.29
    methyl lactate 77.64
    butyl lactate 198.84
    diethyl carbonate 366.31
    propanediol butyl ether 169.7
    triethyl orthoformate 486.3
    p-tert-butyltoluene 408.93
    methyl 4-tert-butylbenzoate 342.93
    morpholine 1395.99
    tert-butylamine 403.39
    n-dodecanol 140.98
    dimethoxymethane 557.37
    ethylene carbonate 290.64
    cyrene 182.75
    2-ethoxyethyl acetate 540.09
    2-ethylhexyl acetate 941.23
    1,2,4-trichlorobenzene 458.09
    4-methylpyridine 1030.11
    dibutyl ether 673.07
    2,6-dimethyl-4-heptanol 342.08
    DEF 469.47
    dimethyl isosorbide 703.12
    tetrachloroethylene 391.33
    eugenol 247.53
    triacetin 342.33
    span 80 316.16
    1,4-butanediol 27.91
    1,1-dichloroethane 652.79
    2-methyl-1-pentanol 214.33
    methyl formate 78.61
    2-methyl-1-butanol 288.03
    n-decane 109.11
    butyronitrile 534.72
    3,7-dimethyl-1-octanol 313.01
    1-chlorooctane 297.5
    1-chlorotetradecane 118.79
    n-nonane 108.62
    undecane 75.41
    tert-butylcyclohexane 135.65
    cyclooctane 206.18
    cyclopentanol 294.78
    tetrahydropyran 2146.25
    tert-amyl methyl ether 529.31
    2,5,8-trioxanonane 572.1
    1-hexene 454.75
    2-isopropoxyethanol 164.58
    2,2,2-trifluoroethanol 21.82
    methyl butyrate 368.71

    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
Abies semenovii Abies semenovii L., fam. Pinaceae 2.2%