beta-Cubebene

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  • Identifiers

    CAS number
    13744-15-5

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@H]([C@H]2[C@]13[C@@H]2C(=C)CC3)C(C)C

  • Odor profile

    Woody 78.91%
    Herbal 64.54%
    Green 57.66%
    Spicy 54.41%
    Fruity 51.92%
    Fresh 43.02%
    Citrus 40.14%
    Oily 37.26%
    Balsamic 34.54%
    Earthy 33.9%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    56.78 ˚C

  • Synonyms

    • beta-Cubebene
    • 13744-15-5
    • (-)-beta-cubebene
    • b-Cubebene
    • (-)-b-Cubebene
    • (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo[4.4.0.01,5]decane
    • (3as,3br,4s,7r,7ar)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1h-cyclopenta[1,3]cyclopropa[1,2]benzene
    • .beta.-Cubebene
    • CHEBI:10363
    • DTXSID201017555
    • (3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene
    • 1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS-(3aalpha,3bbata,4beta,7alpha,7aS*))-
    • (3aS,3bR,4S,7R,7aR)-4-Isopropyl-7-methyl-3-methyleneoctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene
    • (3aS-(3aalpha,3bbata,4b,7a,7aA*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1hcyclopenta(1,3)cyclopropa(1,2)benzene
    • (3aS-(3aalpha,3bbata,4S,7R,7aS*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1H-cyclopenta(1,3)cyclopropa(1,2)benzene
    • (1R,5S,6R,7S,10R)-10-methyl-4-methylidene-7-propan-2-yltricyclo(4.4.0.01,5)decane
    • (3aS,3bR,4S,7R,7aR)-7-methyl-3-methylidene-4-(propan-2-yl)octahydro-1H-cyclopenta(1,3)cyclopropa(1,2)benzene
    • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 2,3,3a.alpha.,3b.alpha.,4,5,6,7-octahydro-4.alpha.-isopropyl-7.beta.-methyl-3-methylene-
    • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3a.alpha.,3b.alpha.,4.alpha.,7.beta.,7aR*)-
    • 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)]-
    • C09648
    • FSRZGYRCMPZNJF-KHMAMNHCSA-N
    • DTXCID301475742
    • HY-N11239A
    • CS-1098558
    • NS00121420
    • Q27108624
    • (3AS-(3aalpha,3bbata,4b,7a,7as*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene
    • (3AS-(3aalpha,3bbata,4I2,7I+-,7as*))-octahydro-7-methyl-3-methylene-4-(1-methylethyl)-1Hcyclopenta(1,3)cyclopropa(1,2)benzene
    • 1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 2,3,3aalpha,3balpha,4,5,6,7-octahydro-4alpha-isopropyl-7beta-methyl-3-methylene-
    • 1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aalpha,3balpha,4alpha,7beta,7aR*)-
    • 1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, (3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*))-

  • Applications

    β-Cubebene (CAS 13744-15-5) is a natural sesquiterpene present in various essential oils (e.g., cubeb pepper, copaiba, patchouli), used primarily as a fragrance ingredient imparting warm, woody–spicy notes in perfumes, home fragrances, and personal care products; in flavors/foods it contributes natural tonalities when occurring as part of unmodified essential oils; in analytics it serves as a reference standard/marker for botanical authentication, quality control, and detection of essential-oil adulteration by GC–MS; in pharmacognosy and life-science research it is investigated at the preclinical level for antimicrobial, antifungal, anti-inflammatory, and antioxidant activities and to study sesquiterpene synthases and metabolic pathways; it is also explored in insect behavior and pest-management research as an olfactory cue, while any therapeutic or pesticidal uses remain subject to safety evaluation and regulatory approval.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 245.16
    methanol 104.59
    isopropanol 354.84
    water 0.17
    ethyl acetate 551.64
    n-propanol 309.78
    acetone 542.49
    n-butanol 372.47
    acetonitrile 281.94
    DMF 365.07
    toluene 775.31
    isobutanol 279.9
    1,4-dioxane 1159.08
    methyl acetate 403.74
    THF 2266.41
    2-butanone 538.45
    n-pentanol 178.75
    sec-butanol 272.48
    n-hexane 75.98
    ethylene glycol 22.37
    NMP 271.35
    cyclohexane 235.44
    DMSO 193.53
    n-butyl acetate 700.39
    n-octanol 180.04
    chloroform 984.99
    n-propyl acetate 318.91
    acetic acid 109.08
    dichloromethane 837.89
    cyclohexanone 771.47
    propylene glycol 50.52
    isopropyl acetate 518.64
    DMAc 298.31
    2-ethoxyethanol 198.8
    isopentanol 355.28
    n-heptane 134.08
    ethyl formate 265.06
    1,2-dichloroethane 553.15
    n-hexanol 403.5
    2-methoxyethanol 326.26
    isobutyl acetate 319.71
    tetrachloromethane 233.6
    n-pentyl acetate 358.66
    transcutol 747.65
    n-heptanol 182.94
    ethylbenzene 273.69
    MIBK 449.15
    2-propoxyethanol 505.92
    tert-butanol 395.57
    MTBE 647.41
    2-butoxyethanol 266.93
    propionic acid 144.14
    o-xylene 336.57
    formic acid 16.81
    diethyl ether 652.38
    m-xylene 457.05
    p-xylene 361.46
    chlorobenzene 511.81
    dimethyl carbonate 163.96
    n-octane 51.3
    formamide 43.08
    cyclopentanone 1011.03
    2-pentanone 551.01
    anisole 440.73
    cyclopentyl methyl ether 749.05
    gamma-butyrolactone 761.72
    1-methoxy-2-propanol 346.8
    pyridine 852.01
    3-pentanone 382.51
    furfural 449.36
    n-dodecane 38.78
    diethylene glycol 203.71
    diisopropyl ether 285.97
    tert-amyl alcohol 262.9
    acetylacetone 593.78
    n-hexadecane 47.21
    acetophenone 329.49
    methyl propionate 340.37
    isopentyl acetate 701.93
    trichloroethylene 840.23
    n-nonanol 178.03
    cyclohexanol 359.48
    benzyl alcohol 255.22
    2-ethylhexanol 274.21
    isooctanol 171.03
    dipropyl ether 533.21
    1,2-dichlorobenzene 382.0
    ethyl lactate 111.17
    propylene carbonate 418.14
    n-methylformamide 151.08
    2-pentanol 268.59
    n-pentane 111.95
    1-propoxy-2-propanol 451.7
    1-methoxy-2-propyl acetate 622.86
    2-(2-methoxypropoxy) propanol 265.61
    mesitylene 303.58
    ε-caprolactone 581.83
    p-cymene 274.6
    epichlorohydrin 835.42
    1,1,1-trichloroethane 596.39
    2-aminoethanol 66.87
    morpholine-4-carbaldehyde 423.83
    sulfolane 428.1
    2,2,4-trimethylpentane 57.96
    2-methyltetrahydrofuran 1139.3
    n-hexyl acetate 438.6
    isooctane 71.45
    2-(2-butoxyethoxy)ethanol 357.1
    sec-butyl acetate 294.9
    tert-butyl acetate 535.93
    decalin 87.69
    glycerin 55.73
    diglyme 695.37
    acrylic acid 93.52
    isopropyl myristate 226.96
    n-butyric acid 331.26
    acetyl acetate 358.78
    di(2-ethylhexyl) phthalate 165.58
    ethyl propionate 304.01
    nitromethane 219.13
    1,2-diethoxyethane 586.57
    benzonitrile 386.96
    trioctyl phosphate 132.11
    1-bromopropane 480.85
    gamma-valerolactone 841.75
    n-decanol 135.78
    triethyl phosphate 181.14
    4-methyl-2-pentanol 224.56
    propionitrile 375.95
    vinylene carbonate 355.1
    1,1,2-trichlorotrifluoroethane 253.01
    DMS 287.02
    cumene 193.03
    2-octanol 137.03
    2-hexanone 328.65
    octyl acetate 237.58
    limonene 314.16
    1,2-dimethoxyethane 576.65
    ethyl orthosilicate 192.81
    tributyl phosphate 154.75
    diacetone alcohol 335.32
    N,N-dimethylaniline 250.78
    acrylonitrile 317.69
    aniline 429.29
    1,3-propanediol 176.16
    bromobenzene 631.15
    dibromomethane 618.2
    1,1,2,2-tetrachloroethane 595.79
    2-methyl-cyclohexyl acetate 342.16
    tetrabutyl urea 182.98
    diisobutyl methanol 234.52
    2-phenylethanol 400.62
    styrene 320.53
    dioctyl adipate 244.19
    dimethyl sulfate 145.29
    ethyl butyrate 468.33
    methyl lactate 111.41
    butyl lactate 199.01
    diethyl carbonate 282.57
    propanediol butyl ether 188.36
    triethyl orthoformate 335.26
    p-tert-butyltoluene 288.57
    methyl 4-tert-butylbenzoate 296.05
    morpholine 1002.59
    tert-butylamine 307.01
    n-dodecanol 109.44
    dimethoxymethane 526.37
    ethylene carbonate 352.74
    cyrene 202.2
    2-ethoxyethyl acetate 441.05
    2-ethylhexyl acetate 541.95
    1,2,4-trichlorobenzene 414.36
    4-methylpyridine 798.41
    dibutyl ether 354.09
    2,6-dimethyl-4-heptanol 234.52
    DEF 367.19
    dimethyl isosorbide 518.45
    tetrachloroethylene 378.94
    eugenol 224.96
    triacetin 316.01
    span 80 240.81
    1,4-butanediol 57.12
    1,1-dichloroethane 585.39
    2-methyl-1-pentanol 181.76
    methyl formate 131.76
    2-methyl-1-butanol 266.8
    n-decane 66.87
    butyronitrile 452.95
    3,7-dimethyl-1-octanol 225.86
    1-chlorooctane 180.91
    1-chlorotetradecane 83.7
    n-nonane 61.72
    undecane 49.51
    tert-butylcyclohexane 84.51
    cyclooctane 103.52
    cyclopentanol 374.77
    tetrahydropyran 1326.47
    tert-amyl methyl ether 347.72
    2,5,8-trioxanonane 433.49
    1-hexene 198.27
    2-isopropoxyethanol 188.98
    2,2,2-trifluoroethanol 47.46
    methyl butyrate 343.49

    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
Ocimum gratissimum (China) 3 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.57%
Torreya grandis 1 Torreya grandis Fort., fam. Taxaceae 5.44%