Isocembrene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    25269-16-3

    Molecular formula
    C20H32

    SMILES
    C/C/1=C\CCC(=C)/C=C/C(CC/C(=C/CC1)/C)C(C)C

  • Odor profile

    Woody 68.95%
    Citrus 67.94%
    Herbal 64.16%
    Spicy 62.57%
    Terpenic 53.35%
    Lemon 47.96%
    Fresh 42.9%
    Mint 38.75%
    Pine 37.45%
    Camphoreous 34.59%

    Scent© AI

  • Properties

    XLogP3-AA
    6.0

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point est.
    137.62 ˚C

  • Synonyms

    • Isocembrene
    • Iso-cembrene
    • 25269-16-3

  • Applications

    Isocembrene (CAS 25269-16-3) is a cembrane-type diterpene hydrocarbon occurring in soft corals and tobacco glandular trichomes; in chemical and biological research it serves as an analytical reference/standard for GC–MS/NMR profiling of natural products, a carbon scaffold for synthesis and derivatization to probe structure–activity relationships and explore potential activities (antimicrobial, antifouling, anti-inflammatory, selective cytotoxicity, modulation of cholinergic receptors), and a model compound for cembranoid biosynthesis and chemical ecology; in marine science it is pursued as a lead for eco-friendly antifouling agents and for understanding defensive metabolites, while in agriculture it is investigated as a lead for natural repellents, antifeedants, and crop-protection candidates; in fragrance/flavor research its low volatility limits direct use, yet the resinous/woody cembrane tonality and its role as a natural trace-identification standard remain useful at the research level; overall, its primary value is as a reference compound, comparator, and chemical scaffold for discovery across pharma–agro–marine applications rather than as a high-volume commercial ingredient.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 351.64
    methanol 100.81
    isopropanol 321.95
    water 0.01
    ethyl acetate 1205.47
    n-propanol 376.69
    acetone 310.81
    n-butanol 540.0
    acetonitrile 122.48
    DMF 110.59
    toluene 1394.38
    isobutanol 263.68
    1,4-dioxane 1611.13
    methyl acetate 341.21
    THF 2389.18
    2-butanone 630.81
    n-pentanol 378.62
    sec-butanol 490.29
    n-hexane 689.14
    ethylene glycol 4.5
    NMP 172.31
    cyclohexane 945.11
    DMSO 143.93
    n-butyl acetate 1836.38
    n-octanol 269.41
    chloroform 1042.33
    n-propyl acetate 616.9
    acetic acid 78.2
    dichloromethane 931.99
    cyclohexanone 826.28
    propylene glycol 24.13
    isopropyl acetate 987.22
    DMAc 260.07
    2-ethoxyethanol 278.82
    isopentanol 520.33
    n-heptane 865.68
    ethyl formate 162.69
    1,2-dichloroethane 711.63
    n-hexanol 867.76
    2-methoxyethanol 301.61
    isobutyl acetate 482.67
    tetrachloromethane 216.17
    n-pentyl acetate 641.55
    transcutol 2608.42
    n-heptanol 298.42
    ethylbenzene 655.42
    MIBK 667.29
    2-propoxyethanol 754.27
    tert-butanol 493.67
    MTBE 1924.26
    2-butoxyethanol 361.62
    propionic acid 87.37
    o-xylene 559.97
    formic acid 7.49
    diethyl ether 2819.12
    m-xylene 795.19
    p-xylene 551.34
    chlorobenzene 470.7
    dimethyl carbonate 80.82
    n-octane 185.74
    formamide 15.08
    cyclopentanone 537.23
    2-pentanone 867.4
    anisole 721.35
    cyclopentyl methyl ether 1380.43
    gamma-butyrolactone 359.98
    1-methoxy-2-propanol 376.39
    pyridine 968.77
    3-pentanone 608.23
    furfural 254.71
    n-dodecane 77.66
    diethylene glycol 142.86
    diisopropyl ether 1084.0
    tert-amyl alcohol 566.52
    acetylacetone 566.32
    n-hexadecane 95.86
    acetophenone 369.61
    methyl propionate 446.99
    isopentyl acetate 1725.01
    trichloroethylene 833.48
    n-nonanol 295.13
    cyclohexanol 531.24
    benzyl alcohol 223.47
    2-ethylhexanol 859.5
    isooctanol 296.07
    dipropyl ether 2908.85
    1,2-dichlorobenzene 382.15
    ethyl lactate 106.01
    propylene carbonate 272.98
    n-methylformamide 39.4
    2-pentanol 585.72
    n-pentane 569.31
    1-propoxy-2-propanol 917.41
    1-methoxy-2-propyl acetate 1216.82
    2-(2-methoxypropoxy) propanol 522.14
    mesitylene 512.71
    ε-caprolactone 689.95
    p-cymene 532.81
    epichlorohydrin 813.34
    1,1,1-trichloroethane 722.48
    2-aminoethanol 29.51
    morpholine-4-carbaldehyde 350.22
    sulfolane 279.71
    2,2,4-trimethylpentane 238.59
    2-methyltetrahydrofuran 2239.83
    n-hexyl acetate 810.53
    isooctane 221.23
    2-(2-butoxyethoxy)ethanol 696.13
    sec-butyl acetate 686.46
    tert-butyl acetate 1159.06
    decalin 345.54
    glycerin 26.95
    diglyme 1348.65
    acrylic acid 34.73
    isopropyl myristate 457.15
    n-butyric acid 398.42
    acetyl acetate 452.83
    di(2-ethylhexyl) phthalate 254.49
    ethyl propionate 577.23
    nitromethane 98.68
    1,2-diethoxyethane 3015.41
    benzonitrile 269.99
    trioctyl phosphate 163.35
    1-bromopropane 1188.98
    gamma-valerolactone 622.17
    n-decanol 214.38
    triethyl phosphate 336.02
    4-methyl-2-pentanol 361.12
    propionitrile 224.54
    vinylene carbonate 176.4
    1,1,2-trichlorotrifluoroethane 198.16
    DMS 300.8
    cumene 394.68
    2-octanol 227.88
    2-hexanone 637.78
    octyl acetate 443.11
    limonene 933.34
    1,2-dimethoxyethane 988.43
    ethyl orthosilicate 445.74
    tributyl phosphate 222.45
    diacetone alcohol 525.41
    N,N-dimethylaniline 470.18
    acrylonitrile 120.29
    aniline 460.88
    1,3-propanediol 112.4
    bromobenzene 666.97
    dibromomethane 833.57
    1,1,2,2-tetrachloroethane 776.35
    2-methyl-cyclohexyl acetate 763.63
    tetrabutyl urea 281.26
    diisobutyl methanol 568.19
    2-phenylethanol 436.18
    styrene 650.56
    dioctyl adipate 516.22
    dimethyl sulfate 74.52
    ethyl butyrate 1442.8
    methyl lactate 73.96
    butyl lactate 238.33
    diethyl carbonate 593.2
    propanediol butyl ether 189.39
    triethyl orthoformate 1017.19
    p-tert-butyltoluene 561.19
    methyl 4-tert-butylbenzoate 446.72
    morpholine 1674.73
    tert-butylamine 505.82
    n-dodecanol 168.98
    dimethoxymethane 425.87
    ethylene carbonate 203.51
    cyrene 200.34
    2-ethoxyethyl acetate 832.73
    2-ethylhexyl acetate 1540.76
    1,2,4-trichlorobenzene 406.42
    4-methylpyridine 928.39
    dibutyl ether 1413.27
    2,6-dimethyl-4-heptanol 568.19
    DEF 593.05
    dimethyl isosorbide 937.18
    tetrachloroethylene 449.31
    eugenol 281.67
    triacetin 443.37
    span 80 434.92
    1,4-butanediol 29.47
    1,1-dichloroethane 641.31
    2-methyl-1-pentanol 458.08
    methyl formate 27.67
    2-methyl-1-butanol 485.09
    n-decane 175.24
    butyronitrile 441.11
    3,7-dimethyl-1-octanol 436.25
    1-chlorooctane 454.08
    1-chlorotetradecane 172.49
    n-nonane 187.13
    undecane 109.74
    tert-butylcyclohexane 323.8
    cyclooctane 444.45
    cyclopentanol 263.05
    tetrahydropyran 3072.84
    tert-amyl methyl ether 1374.56
    2,5,8-trioxanonane 913.98
    1-hexene 1243.09
    2-isopropoxyethanol 296.66
    2,2,2-trifluoroethanol 12.72
    methyl butyrate 596.26

    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
Olibanum, Frankincense (Somalia) 1 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 1.8%