(+)-epsilon-Cadinene

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  • Identifiers

    CAS number
    27542-04-7

    Molecular formula
    C15H24

    SMILES
    CC(C)[C@H]1CCC(=C)[C@@H]2[C@@H]1CC(=C)CC2

    Retention indicies (RI)

    • Carbowax: 1655.0

  • Odor profile

    Woody 67.18%
    Herbal 61.98%
    Spicy 56.95%
    Green 56.37%
    Citrus 52.28%
    Fresh 48.19%
    Terpenic 40.34%
    Mint 37.05%
    Oily 35.83%
    Pine 34.65%

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  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point est.
    95.21 ˚C

  • Synonyms

    • (+)-epsilon-Cadinene
    • epsilon-Cadinene, (+)-
    • FG5DD598NZ
    • 27542-04-7
    • (4R,4aR,8aS)-Decahydro-1,6-bis(methylene)-4-(1-methylethyl)naphthalene
    • Naphthalene, decahydro-1,6-bis(methylene)-4-(1-methylethyl)-, (4R,4aR,8aS)-

  • Applications

    In practice across science and industry, (+)-epsilon-cadinene (CAS 27542-04-7) is leveraged mainly as a volatile sesquiterpene from essential oils for multiple purposes: as a reference/internal standard in GC–MS, GC–O, and chiroptical studies to build spectral libraries, enable chemical fingerprinting, and support essential‑oil quality control; in perfumery and fragrance R&D it is employed (typically via cadinene‑containing extracts) to fine‑tune and quantify woody–warm–spicy facets, probe sensory interactions, and evaluate aroma stability in formulations; in chemical ecology and agriculture it functions as a plant semiochemical and is investigated for selective insect attractant/repellent behavior and as an exploratory postharvest fumigant for stored‑product pests; in pharmacognosy and biochemistry the (+) enantiomer is studied in vitro for antimicrobial, antioxidant, and anti‑inflammatory potential and as a scaffold for semisynthetic, functionally modified derivatives; in organic synthesis it serves as a convenient sesquiterpene feedstock for functionalization (e.g., epoxidation, hydroformylation, selective oxidations) and for stereochemical methodology; it is also a useful chemotaxonomic and volatilomics marker to trace botanical origin and physiological status, and a target in food‑aroma research for reconstructing natural flavor profiles, although it is seldom used as a standalone commercial additive.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.1
    methanol 153.79
    isopropanol 483.14
    water 0.03
    ethyl acetate 878.87
    n-propanol 476.88
    acetone 768.19
    n-butanol 588.25
    acetonitrile 418.37
    DMF 418.52
    toluene 1168.73
    isobutanol 357.93
    1,4-dioxane 1879.92
    methyl acetate 544.76
    THF 3533.7
    2-butanone 803.07
    n-pentanol 292.25
    sec-butanol 366.55
    n-hexane 182.0
    ethylene glycol 11.29
    NMP 346.8
    cyclohexane 546.61
    DMSO 303.13
    n-butyl acetate 1735.87
    n-octanol 275.33
    chloroform 1528.91
    n-propyl acetate 498.04
    acetic acid 148.3
    dichloromethane 1549.61
    cyclohexanone 1300.62
    propylene glycol 34.81
    isopropyl acetate 683.15
    DMAc 313.93
    2-ethoxyethanol 222.38
    isopentanol 498.05
    n-heptane 455.71
    ethyl formate 391.71
    1,2-dichloroethane 935.96
    n-hexanol 897.47
    2-methoxyethanol 391.08
    isobutyl acetate 393.21
    tetrachloromethane 319.15
    n-pentyl acetate 534.95
    transcutol 1421.19
    n-heptanol 279.99
    ethylbenzene 368.45
    MIBK 547.06
    2-propoxyethanol 800.52
    tert-butanol 569.84
    MTBE 985.79
    2-butoxyethanol 347.9
    propionic acid 173.21
    o-xylene 425.09
    formic acid 13.17
    diethyl ether 1308.62
    m-xylene 629.46
    p-xylene 424.95
    chlorobenzene 739.26
    dimethyl carbonate 146.62
    n-octane 99.88
    formamide 33.05
    cyclopentanone 1298.66
    2-pentanone 854.1
    anisole 497.45
    cyclopentyl methyl ether 1216.24
    gamma-butyrolactone 976.6
    1-methoxy-2-propanol 426.41
    pyridine 1427.66
    3-pentanone 558.38
    furfural 553.38
    n-dodecane 56.31
    diethylene glycol 204.87
    diisopropyl ether 431.98
    tert-amyl alcohol 353.04
    acetylacetone 678.79
    n-hexadecane 69.1
    acetophenone 345.97
    methyl propionate 446.39
    isopentyl acetate 1314.01
    trichloroethylene 1332.47
    n-nonanol 260.31
    cyclohexanol 567.41
    benzyl alcohol 246.39
    2-ethylhexanol 658.91
    isooctanol 238.58
    dipropyl ether 1555.58
    1,2-dichlorobenzene 482.47
    ethyl lactate 107.77
    propylene carbonate 551.5
    n-methylformamide 154.55
    2-pentanol 382.47
    n-pentane 222.16
    1-propoxy-2-propanol 798.14
    1-methoxy-2-propyl acetate 888.02
    2-(2-methoxypropoxy) propanol 323.17
    mesitylene 369.74
    ε-caprolactone 845.89
    p-cymene 414.66
    epichlorohydrin 1223.3
    1,1,1-trichloroethane 888.9
    2-aminoethanol 49.16
    morpholine-4-carbaldehyde 509.96
    sulfolane 525.19
    2,2,4-trimethylpentane 75.71
    2-methyltetrahydrofuran 2086.06
    n-hexyl acetate 644.23
    isooctane 93.61
    2-(2-butoxyethoxy)ethanol 496.91
    sec-butyl acetate 360.94
    tert-butyl acetate 684.21
    decalin 131.57
    glycerin 39.89
    diglyme 1024.23
    acrylic acid 90.9
    isopropyl myristate 294.19
    n-butyric acid 533.77
    acetyl acetate 423.3
    di(2-ethylhexyl) phthalate 192.05
    ethyl propionate 389.54
    nitromethane 263.52
    1,2-diethoxyethane 1328.39
    benzonitrile 503.44
    trioctyl phosphate 153.95
    1-bromopropane 1001.36
    gamma-valerolactone 1113.36
    n-decanol 197.36
    triethyl phosphate 214.96
    4-methyl-2-pentanol 257.48
    propionitrile 579.73
    vinylene carbonate 431.75
    1,1,2-trichlorotrifluoroethane 260.69
    DMS 299.42
    cumene 217.05
    2-octanol 192.25
    2-hexanone 513.57
    octyl acetate 327.42
    limonene 642.53
    1,2-dimethoxyethane 884.1
    ethyl orthosilicate 241.22
    tributyl phosphate 190.07
    diacetone alcohol 403.46
    N,N-dimethylaniline 283.36
    acrylonitrile 389.64
    aniline 569.75
    1,3-propanediol 170.1
    bromobenzene 899.99
    dibromomethane 1191.6
    1,1,2,2-tetrachloroethane 857.28
    2-methyl-cyclohexyl acetate 481.69
    tetrabutyl urea 246.88
    diisobutyl methanol 402.02
    2-phenylethanol 467.96
    styrene 437.94
    dioctyl adipate 303.58
    dimethyl sulfate 124.26
    ethyl butyrate 911.53
    methyl lactate 100.34
    butyl lactate 242.71
    diethyl carbonate 424.59
    propanediol butyl ether 208.89
    triethyl orthoformate 543.71
    p-tert-butyltoluene 406.6
    methyl 4-tert-butylbenzoate 319.11
    morpholine 1821.02
    tert-butylamine 500.23
    n-dodecanol 154.84
    dimethoxymethane 672.42
    ethylene carbonate 440.52
    cyrene 205.94
    2-ethoxyethyl acetate 582.23
    2-ethylhexyl acetate 1039.09
    1,2,4-trichlorobenzene 496.8
    4-methylpyridine 1296.98
    dibutyl ether 758.52
    2,6-dimethyl-4-heptanol 402.02
    DEF 569.88
    dimethyl isosorbide 699.85
    tetrachloroethylene 548.87
    eugenol 243.78
    triacetin 340.06
    span 80 319.46
    1,4-butanediol 42.69
    1,1-dichloroethane 983.27
    2-methyl-1-pentanol 261.66
    methyl formate 139.06
    2-methyl-1-butanol 365.81
    n-decane 112.27
    butyronitrile 854.5
    3,7-dimethyl-1-octanol 325.36
    1-chlorooctane 327.04
    1-chlorotetradecane 121.28
    n-nonane 116.57
    undecane 76.23
    tert-butylcyclohexane 117.91
    cyclooctane 190.07
    cyclopentanol 498.86
    tetrahydropyran 2816.26
    tert-amyl methyl ether 504.11
    2,5,8-trioxanonane 592.77
    1-hexene 504.4
    2-isopropoxyethanol 208.27
    2,2,2-trifluoroethanol 35.03
    methyl butyrate 500.37

    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
Lemon balm 3 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.4%
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 1.0%
Spike lavender (Spain) 3 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.3%
Mentha arvensis, Glabrata Ray variety Mentha arvensis (L.) var. glabrata Ray, fam. Lamiaceae (Labiatae) 0.2%
Spike lavender (Spain) 4 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.01%
Juniper leaf (Canada) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.5%