(+)-Aromadendrene

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  • Identifiers

    CAS number
    72747-25-2

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Woody 81.62%
    Herbal 54.4%
    Spicy 49.33%
    Fresh 45.08%
    Sweet 44.92%
    Pine 38.74%
    Camphoreous 38.01%
    Green 37.9%
    Cedar 37.67%
    Dry 37.61%

    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.
    275°C

    Flash point est.
    68.94 ˚C

  • Synonyms

    • (+)-AROMADENDRENE
    • 489-39-4
    • Aromadendrene
    • MFCD00062951
    • (1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
    • 72747-25-2
    • (1R,2S,8R,11R)-7-Methylene-3,3,11-trimethyltricyclo[6.3.0.02.4]undecane
    • (+/-)-Aromadendrene
    • EINECS 207-694-6
    • (-)-AROMADENDRENE II
    • CHEMBL2269083
    • DTXSID60862020
    • DTXSID80881253
    • ITYNGVSTWVVPIC-XVIXHAIJSA-N
    • HY-N8411
    • STL570264
    • AKOS015913965
    • AT37012
    • FS-8196
    • 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-
    • (1AR-(1aalpha,4aalpha,7alpha,7abeta,7balpha))-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop(e)azulene
    • DA-61217
    • FA159298
    • 1ST169809
    • CS-0144117
    • (+)-Aromadendrene, >=97.0% (sum of enantiomers, GC)
    • (1aR,4aR,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulene
    • (1AR,4AR,7R,7AR,7BS)-1,1,7-TRIMETHYL-4-METHYLIDENE-OCTAHYDRO-1AH-CYCLOPROPA[E]AZULENE

  • Applications

    (+)-Aromadendrene (CAS 72747-25-2) is a sesquiterpene hydrocarbon with a characteristic woody–resinous odor found in eucalyptus and tea tree oils, used primarily as a fragrance ingredient in perfumery, cosmetics, and personal/home care to build forest, woody-balsamic, and green herbal accords (soaps, shampoos, deodorants, candles, air fresheners), occasionally evaluated at trace levels as a flavor note with woody–herbal nuances where regulations allow, and widely employed as a reference/marker in GC–MS/GC–FID for essential-oil authentication, batch quality control, and volatility profiling; in environmental chemistry it serves as a model sesquiterpene for studying ozonolysis/NO3 reactions and secondary organic aerosol formation; in pharma–biotech and agro R&D it is explored as a chiral sesquiterpene scaffold for semi-synthesis of oxygenated derivatives and as a molecule with potential bioactivities (e.g., antimicrobial, anti-inflammatory, insect-repellent) pending further evidence; it also acts as an ecological emission marker from plants and a target in engineered-microbe terpene platforms as a renewable hydrocarbon building block; practical use depends on purity, oxidative stability, and regulatory compliance (e.g., fragrance safety), with storage under inert, light/oxygen-limiting conditions recommended to mitigate oxidation and possible sensitizing peroxide formation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 451.26
    methanol 220.42
    isopropanol 645.15
    water 0.32
    ethyl acetate 779.01
    n-propanol 564.04
    acetone 965.6
    n-butanol 601.12
    acetonitrile 452.49
    DMF 695.17
    toluene 858.89
    isobutanol 514.28
    1,4-dioxane 1562.78
    methyl acetate 625.97
    THF 3212.08
    2-butanone 864.97
    n-pentanol 300.08
    sec-butanol 477.51
    n-hexane 129.45
    ethylene glycol 57.72
    NMP 458.21
    cyclohexane 331.41
    DMSO 394.78
    n-butyl acetate 816.18
    n-octanol 324.84
    chloroform 1302.57
    n-propyl acetate 443.4
    acetic acid 188.02
    dichloromethane 1082.55
    cyclohexanone 1172.07
    propylene glycol 124.44
    isopropyl acetate 736.44
    DMAc 481.72
    2-ethoxyethanol 350.5
    isopentanol 570.0
    n-heptane 198.83
    ethyl formate 411.05
    1,2-dichloroethane 784.41
    n-hexanol 642.75
    2-methoxyethanol 601.62
    isobutyl acetate 424.81
    tetrachloromethane 314.54
    n-pentyl acetate 462.78
    transcutol 949.86
    n-heptanol 315.41
    ethylbenzene 351.91
    MIBK 694.71
    2-propoxyethanol 776.26
    tert-butanol 710.09
    MTBE 1022.52
    2-butoxyethanol 449.39
    propionic acid 252.48
    o-xylene 410.5
    formic acid 32.13
    diethyl ether 969.81
    m-xylene 572.51
    p-xylene 428.49
    chlorobenzene 667.63
    dimethyl carbonate 279.4
    n-octane 84.73
    formamide 70.23
    cyclopentanone 1516.65
    2-pentanone 875.62
    anisole 553.86
    cyclopentyl methyl ether 1111.28
    gamma-butyrolactone 1177.42
    1-methoxy-2-propanol 633.87
    pyridine 1073.98
    3-pentanone 596.16
    furfural 699.33
    n-dodecane 66.37
    diethylene glycol 387.87
    diisopropyl ether 431.61
    tert-amyl alcohol 455.23
    acetylacetone 922.42
    n-hexadecane 77.97
    acetophenone 421.66
    methyl propionate 556.2
    isopentyl acetate 870.51
    trichloroethylene 1099.24
    n-nonanol 290.78
    cyclohexanol 568.65
    benzyl alcohol 360.74
    2-ethylhexanol 391.03
    isooctanol 272.19
    dipropyl ether 664.13
    1,2-dichlorobenzene 511.01
    ethyl lactate 201.71
    propylene carbonate 636.92
    n-methylformamide 279.89
    2-pentanol 449.77
    n-pentane 186.37
    1-propoxy-2-propanol 666.19
    1-methoxy-2-propyl acetate 834.74
    2-(2-methoxypropoxy) propanol 375.75
    mesitylene 392.64
    ε-caprolactone 863.46
    p-cymene 318.49
    epichlorohydrin 1313.72
    1,1,1-trichloroethane 831.16
    2-aminoethanol 148.91
    morpholine-4-carbaldehyde 716.65
    sulfolane 806.64
    2,2,4-trimethylpentane 87.8
    2-methyltetrahydrofuran 1578.46
    n-hexyl acetate 650.06
    isooctane 115.82
    2-(2-butoxyethoxy)ethanol 521.68
    sec-butyl acetate 388.26
    tert-butyl acetate 760.13
    decalin 121.27
    glycerin 134.64
    diglyme 951.41
    acrylic acid 177.21
    isopropyl myristate 305.92
    n-butyric acid 499.47
    acetyl acetate 483.93
    di(2-ethylhexyl) phthalate 225.42
    ethyl propionate 427.05
    nitromethane 371.11
    1,2-diethoxyethane 658.58
    benzonitrile 528.16
    trioctyl phosphate 197.44
    1-bromopropane 726.09
    gamma-valerolactone 1292.82
    n-decanol 223.06
    triethyl phosphate 244.92
    4-methyl-2-pentanol 352.8
    propionitrile 591.35
    vinylene carbonate 537.2
    1,1,2-trichlorotrifluoroethane 460.3
    DMS 422.84
    cumene 248.54
    2-octanol 235.68
    2-hexanone 484.83
    octyl acetate 337.59
    limonene 401.3
    1,2-dimethoxyethane 873.98
    ethyl orthosilicate 244.59
    tributyl phosphate 224.5
    diacetone alcohol 548.57
    N,N-dimethylaniline 319.44
    acrylonitrile 516.42
    aniline 544.26
    1,3-propanediol 318.89
    bromobenzene 782.02
    dibromomethane 861.54
    1,1,2,2-tetrachloroethane 862.98
    2-methyl-cyclohexyl acetate 426.95
    tetrabutyl urea 253.35
    diisobutyl methanol 327.46
    2-phenylethanol 515.29
    styrene 399.08
    dioctyl adipate 318.15
    dimethyl sulfate 279.31
    ethyl butyrate 560.77
    methyl lactate 220.64
    butyl lactate 302.82
    diethyl carbonate 343.25
    propanediol butyl ether 342.74
    triethyl orthoformate 406.2
    p-tert-butyltoluene 338.86
    methyl 4-tert-butylbenzoate 410.7
    morpholine 1364.16
    tert-butylamine 502.26
    n-dodecanol 177.35
    dimethoxymethane 863.0
    ethylene carbonate 539.86
    cyrene 308.59
    2-ethoxyethyl acetate 553.79
    2-ethylhexyl acetate 659.09
    1,2,4-trichlorobenzene 524.5
    4-methylpyridine 1051.69
    dibutyl ether 485.54
    2,6-dimethyl-4-heptanol 327.46
    DEF 594.18
    dimethyl isosorbide 692.4
    tetrachloroethylene 558.48
    eugenol 317.66
    triacetin 443.58
    span 80 346.43
    1,4-butanediol 123.98
    1,1-dichloroethane 889.18
    2-methyl-1-pentanol 282.36
    methyl formate 253.22
    2-methyl-1-butanol 440.22
    n-decane 111.18
    butyronitrile 718.66
    3,7-dimethyl-1-octanol 350.28
    1-chlorooctane 298.67
    1-chlorotetradecane 128.18
    n-nonane 112.12
    undecane 84.73
    tert-butylcyclohexane 118.42
    cyclooctane 145.11
    cyclopentanol 633.02
    tetrahydropyran 1754.51
    tert-amyl methyl ether 525.57
    2,5,8-trioxanonane 579.99
    1-hexene 305.23
    2-isopropoxyethanol 321.08
    2,2,2-trifluoroethanol 89.96
    methyl butyrate 515.36

    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
Eucalyptus camaldulensis (Israel) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 0.1%
Fumana thymifolia Fumana thymifolia (L.) Spach ex Webb, fam. Cistaceae 2.4%
Sideritis raeseri (Greece) Sideritis raeseri Boiss.et Heldr.ssp.attica (Heldr.) Pap.et Kok, Lamiaceae 0.01%