beta-Cuprenene

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  • Identifiers

    CAS number
    4895-23-2

    Molecular formula
    C15H24

    SMILES
    C[C@]1(CCCC1(C)C)C2CCC(=C)C=C2

  • Odor profile

    Woody 79.65%
    Sweet 56.13%
    Spicy 48.78%
    Green 44.84%
    Dry 42.24%
    Fresh 40.82%
    Citrus 38.95%
    Terpenic 38.75%
    Herbal 38.16%
    Camphoreous 35.52%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    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.
    103.8 ˚C

  • Synonyms

    • .beta.-Cuprenene
    • QPXHUMFBJLASJO-WUJWULDRSA-N

  • Applications

    beta-Cuprenene (CAS 4895-23-2) is a hydrophobic sesquiterpene hydrocarbon with a woody, resinous odor used mainly in research and fragrance applications: as a GC/GC-MS analytical reference for identification, quantitation, and quality control of essential oils (notably from Cupressaceae/Juniperus), supporting plant chemotaxonomy and raw-material traceability; as a note/accord modifier contributing woody, resinous, smoky facets in perfumes, candles, and personal-care products; as a model substrate for sesquiterpene biosynthesis/derivatization studies (oxidation, isomerization) to access value-added odorants; as a stimulus/control in chemical ecology and insect-behavior assays; and as a standard for monitoring volatile organic compounds in environmental and process streams.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.19
    methanol 328.24
    isopropanol 708.22
    water 0.5
    ethyl acetate 1750.11
    n-propanol 720.95
    acetone 1185.28
    n-butanol 853.55
    acetonitrile 674.36
    DMF 1172.17
    toluene 2117.95
    isobutanol 590.32
    1,4-dioxane 2680.09
    methyl acetate 1156.8
    THF 3805.48
    2-butanone 1306.06
    n-pentanol 408.72
    sec-butanol 651.3
    n-hexane 466.34
    ethylene glycol 54.09
    NMP 683.85
    cyclohexane 868.51
    DMSO 471.28
    n-butyl acetate 1346.35
    n-octanol 328.22
    chloroform 2679.72
    n-propyl acetate 752.84
    acetic acid 266.32
    dichloromethane 1864.9
    cyclohexanone 1582.0
    propylene glycol 124.97
    isopropyl acetate 1571.2
    DMAc 1117.7
    2-ethoxyethanol 521.24
    isopentanol 883.71
    n-heptane 293.34
    ethyl formate 498.41
    1,2-dichloroethane 1444.55
    n-hexanol 858.04
    2-methoxyethanol 885.71
    isobutyl acetate 660.73
    tetrachloromethane 713.26
    n-pentyl acetate 617.15
    transcutol 2793.77
    n-heptanol 333.18
    ethylbenzene 861.89
    MIBK 1137.36
    2-propoxyethanol 1140.59
    tert-butanol 1110.66
    MTBE 2627.17
    2-butoxyethanol 552.04
    propionic acid 347.62
    o-xylene 1028.9
    formic acid 61.7
    diethyl ether 2457.24
    m-xylene 1423.08
    p-xylene 1009.19
    chlorobenzene 1291.05
    dimethyl carbonate 600.79
    n-octane 102.74
    formamide 175.81
    cyclopentanone 1620.36
    2-pentanone 1325.86
    anisole 1366.66
    cyclopentyl methyl ether 1858.85
    gamma-butyrolactone 1305.44
    1-methoxy-2-propanol 1006.0
    pyridine 1859.08
    3-pentanone 1186.84
    furfural 1006.82
    n-dodecane 61.72
    diethylene glycol 470.58
    diisopropyl ether 1255.96
    tert-amyl alcohol 862.73
    acetylacetone 1456.68
    n-hexadecane 75.5
    acetophenone 857.6
    methyl propionate 1098.22
    isopentyl acetate 1450.82
    trichloroethylene 2314.74
    n-nonanol 336.66
    cyclohexanol 809.07
    benzyl alcohol 503.89
    2-ethylhexanol 625.32
    isooctanol 339.27
    dipropyl ether 1428.83
    1,2-dichlorobenzene 1117.48
    ethyl lactate 263.52
    propylene carbonate 835.46
    n-methylformamide 437.58
    2-pentanol 745.03
    n-pentane 501.15
    1-propoxy-2-propanol 1020.07
    1-methoxy-2-propyl acetate 1634.06
    2-(2-methoxypropoxy) propanol 762.86
    mesitylene 990.26
    ε-caprolactone 1288.53
    p-cymene 568.87
    epichlorohydrin 1704.42
    1,1,1-trichloroethane 1871.08
    2-aminoethanol 182.88
    morpholine-4-carbaldehyde 1186.06
    sulfolane 956.04
    2,2,4-trimethylpentane 281.25
    2-methyltetrahydrofuran 2455.37
    n-hexyl acetate 867.63
    isooctane 312.26
    2-(2-butoxyethoxy)ethanol 929.91
    sec-butyl acetate 812.16
    tert-butyl acetate 1828.88
    decalin 351.14
    glycerin 168.07
    diglyme 1883.1
    acrylic acid 234.5
    isopropyl myristate 459.02
    n-butyric acid 760.22
    acetyl acetate 1074.79
    di(2-ethylhexyl) phthalate 333.76
    ethyl propionate 904.85
    nitromethane 631.35
    1,2-diethoxyethane 1806.64
    benzonitrile 745.7
    trioctyl phosphate 228.71
    1-bromopropane 1469.24
    gamma-valerolactone 1733.64
    n-decanol 253.08
    triethyl phosphate 442.2
    4-methyl-2-pentanol 646.36
    propionitrile 918.66
    vinylene carbonate 773.35
    1,1,2-trichlorotrifluoroethane 738.83
    DMS 804.79
    cumene 592.43
    2-octanol 242.47
    2-hexanone 759.6
    octyl acetate 458.4
    limonene 709.07
    1,2-dimethoxyethane 1503.48
    ethyl orthosilicate 490.52
    tributyl phosphate 302.69
    diacetone alcohol 983.3
    N,N-dimethylaniline 904.46
    acrylonitrile 756.14
    aniline 1229.73
    1,3-propanediol 383.72
    bromobenzene 1595.93
    dibromomethane 1471.44
    1,1,2,2-tetrachloroethane 1936.21
    2-methyl-cyclohexyl acetate 800.46
    tetrabutyl urea 352.33
    diisobutyl methanol 517.37
    2-phenylethanol 751.2
    styrene 981.35
    dioctyl adipate 512.69
    dimethyl sulfate 574.5
    ethyl butyrate 1016.85
    methyl lactate 363.24
    butyl lactate 384.52
    diethyl carbonate 704.37
    propanediol butyl ether 391.65
    triethyl orthoformate 862.17
    p-tert-butyltoluene 633.92
    methyl 4-tert-butylbenzoate 815.74
    morpholine 2565.95
    tert-butylamine 1082.93
    n-dodecanol 194.71
    dimethoxymethane 1645.62
    ethylene carbonate 784.28
    cyrene 408.54
    2-ethoxyethyl acetate 924.85
    2-ethylhexyl acetate 1167.05
    1,2,4-trichlorobenzene 1205.36
    4-methylpyridine 1926.49
    dibutyl ether 890.22
    2,6-dimethyl-4-heptanol 517.37
    DEF 1144.22
    dimethyl isosorbide 1362.6
    tetrachloroethylene 1220.78
    eugenol 595.89
    triacetin 754.44
    span 80 559.62
    1,4-butanediol 100.04
    1,1-dichloroethane 1714.48
    2-methyl-1-pentanol 470.38
    methyl formate 302.89
    2-methyl-1-butanol 738.59
    n-decane 114.36
    butyronitrile 1005.86
    3,7-dimethyl-1-octanol 522.23
    1-chlorooctane 358.64
    1-chlorotetradecane 161.57
    n-nonane 111.49
    undecane 80.57
    tert-butylcyclohexane 340.41
    cyclooctane 381.67
    cyclopentanol 640.8
    tetrahydropyran 3098.31
    tert-amyl methyl ether 1544.32
    2,5,8-trioxanonane 1241.55
    1-hexene 828.52
    2-isopropoxyethanol 452.43
    2,2,2-trifluoroethanol 141.58
    methyl butyrate 864.95

    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
Cedarwood, Mulanje Widdringtonia whytei Rendle, fam. Cupressaceae 2.1%