Aromadendrene oxide 2

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  • Identifiers

    CAS number
    85710-39-0

    Molecular formula
    C15H24O

    SMILES
    C[C@@H]1CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@@]24CO4

  • Odor profile

    Woody 79.2%
    Herbal 49.69%
    Spicy 45.99%
    Amber 42.8%
    Fresh 41.59%
    Floral 40.79%
    Earthy 38.16%
    Dry 37.91%
    Balsamic 37.33%
    Cedar 37.23%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.88 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    296°C

    Flash point est.
    80.54 ˚C

  • Synonyms

    • Aromadendrene oxide 2
    • 85710-39-0
    • (1aR,4S,4aR,7R,7aS,7bS)-1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]
    • DTXSID00583383
    • 1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]
    • Aromadendrene oxide 2, >=95.0%

  • Applications

    Aromadendrene oxide 2 (CAS 85710-39-0) is a naturally occurring sesquiterpene oxide found in Myrtaceae essential oils (e.g., eucalyptus) and is used primarily as a fragrance ingredient to impart woody–resinous, slightly herbal–camphoraceous nuances and to add depth and tenacity to eucalyptus/tea tree-style accords in fine fragrance, personal care, and home care (candles, diffusers, air care); it also serves as a GC–MS marker/reference for essential oil authentication, quality control, traceability, and chemotaxonomy, as a starting point or intermediate for synthesizing sesquiterpene derivatives in R&D, and as a subject of preclinical studies exploring antimicrobial, antifungal, antioxidant, and anti-inflammatory properties; any health-related claims/uses remain exploratory and must comply with local safety regulations, labeling, and concentration limits in line with IFRA/GHS guidance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.6
    methanol 175.24
    isopropanol 258.04
    water 1.55
    ethyl acetate 339.55
    n-propanol 249.53
    acetone 447.86
    n-butanol 242.72
    acetonitrile 302.85
    DMF 387.38
    toluene 382.01
    isobutanol 203.06
    1,4-dioxane 664.27
    methyl acetate 330.34
    THF 1143.1
    2-butanone 380.4
    n-pentanol 127.97
    sec-butanol 171.72
    n-hexane 23.85
    ethylene glycol 72.04
    NMP 302.78
    cyclohexane 85.67
    DMSO 274.75
    n-butyl acetate 259.59
    n-octanol 111.58
    chloroform 1058.05
    n-propyl acetate 190.17
    acetic acid 174.85
    dichloromethane 830.28
    cyclohexanone 563.01
    propylene glycol 98.6
    isopropyl acetate 286.36
    DMAc 270.48
    2-ethoxyethanol 208.52
    isopentanol 204.38
    n-heptane 36.98
    ethyl formate 249.46
    1,2-dichloroethane 481.99
    n-hexanol 202.78
    2-methoxyethanol 349.49
    isobutyl acetate 176.14
    tetrachloromethane 196.62
    n-pentyl acetate 188.75
    transcutol 445.46
    n-heptanol 121.31
    ethylbenzene 160.29
    MIBK 264.46
    2-propoxyethanol 336.66
    tert-butanol 238.85
    MTBE 262.86
    2-butoxyethanol 226.14
    propionic acid 194.31
    o-xylene 205.74
    formic acid 54.86
    diethyl ether 297.36
    m-xylene 253.77
    p-xylene 207.3
    chlorobenzene 384.44
    dimethyl carbonate 173.11
    n-octane 19.53
    formamide 98.05
    cyclopentanone 756.36
    2-pentanone 344.7
    anisole 257.48
    cyclopentyl methyl ether 401.1
    gamma-butyrolactone 676.08
    1-methoxy-2-propanol 303.42
    pyridine 588.89
    3-pentanone 256.01
    furfural 499.96
    n-dodecane 18.4
    diethylene glycol 241.7
    diisopropyl ether 121.97
    tert-amyl alcohol 153.55
    acetylacetone 402.03
    n-hexadecane 21.85
    acetophenone 237.13
    methyl propionate 279.43
    isopentyl acetate 281.53
    trichloroethylene 787.99
    n-nonanol 104.84
    cyclohexanol 242.13
    benzyl alcohol 201.41
    2-ethylhexanol 132.16
    isooctanol 110.74
    dipropyl ether 168.99
    1,2-dichlorobenzene 325.35
    ethyl lactate 123.31
    propylene carbonate 382.38
    n-methylformamide 204.72
    2-pentanol 161.01
    n-pentane 39.84
    1-propoxy-2-propanol 240.55
    1-methoxy-2-propyl acetate 317.57
    2-(2-methoxypropoxy) propanol 177.65
    mesitylene 166.67
    ε-caprolactone 433.19
    p-cymene 127.16
    epichlorohydrin 743.8
    1,1,1-trichloroethane 496.48
    2-aminoethanol 130.81
    morpholine-4-carbaldehyde 386.66
    sulfolane 517.0
    2,2,4-trimethylpentane 25.64
    2-methyltetrahydrofuran 569.03
    n-hexyl acetate 240.99
    isooctane 29.88
    2-(2-butoxyethoxy)ethanol 234.01
    sec-butyl acetate 166.51
    tert-butyl acetate 273.38
    decalin 42.42
    glycerin 126.66
    diglyme 423.45
    acrylic acid 175.67
    isopropyl myristate 117.5
    n-butyric acid 281.7
    acetyl acetate 259.41
    di(2-ethylhexyl) phthalate 111.09
    ethyl propionate 183.31
    nitromethane 320.03
    1,2-diethoxyethane 206.94
    benzonitrile 329.57
    trioctyl phosphate 89.78
    1-bromopropane 324.75
    gamma-valerolactone 722.75
    n-decanol 81.52
    triethyl phosphate 109.2
    4-methyl-2-pentanol 127.05
    propionitrile 320.49
    vinylene carbonate 367.45
    1,1,2-trichlorotrifluoroethane 348.23
    DMS 215.76
    cumene 112.09
    2-octanol 87.2
    2-hexanone 196.38
    octyl acetate 132.63
    limonene 146.75
    1,2-dimethoxyethane 363.01
    ethyl orthosilicate 104.61
    tributyl phosphate 99.45
    diacetone alcohol 240.17
    N,N-dimethylaniline 151.41
    acrylonitrile 342.03
    aniline 285.48
    1,3-propanediol 211.07
    bromobenzene 432.96
    dibromomethane 565.98
    1,1,2,2-tetrachloroethane 600.78
    2-methyl-cyclohexyl acetate 189.09
    tetrabutyl urea 111.85
    diisobutyl methanol 110.57
    2-phenylethanol 249.81
    styrene 183.1
    dioctyl adipate 139.03
    dimethyl sulfate 198.19
    ethyl butyrate 199.04
    methyl lactate 161.27
    butyl lactate 160.28
    diethyl carbonate 145.56
    propanediol butyl ether 178.61
    triethyl orthoformate 154.26
    p-tert-butyltoluene 125.85
    methyl 4-tert-butylbenzoate 204.29
    morpholine 575.0
    tert-butylamine 159.71
    n-dodecanol 65.8
    dimethoxymethane 387.48
    ethylene carbonate 333.23
    cyrene 182.22
    2-ethoxyethyl acetate 255.13
    2-ethylhexyl acetate 226.11
    1,2,4-trichlorobenzene 352.59
    4-methylpyridine 511.85
    dibutyl ether 128.35
    2,6-dimethyl-4-heptanol 110.57
    DEF 250.17
    dimethyl isosorbide 317.93
    tetrachloroethylene 405.47
    eugenol 180.48
    triacetin 226.78
    span 80 166.81
    1,4-butanediol 90.19
    1,1-dichloroethane 510.63
    2-methyl-1-pentanol 117.19
    methyl formate 196.41
    2-methyl-1-butanol 166.06
    n-decane 29.66
    butyronitrile 327.32
    3,7-dimethyl-1-octanol 122.82
    1-chlorooctane 97.5
    1-chlorotetradecane 47.0
    n-nonane 26.77
    undecane 22.91
    tert-butylcyclohexane 35.64
    cyclooctane 37.8
    cyclopentanol 283.88
    tetrahydropyran 629.54
    tert-amyl methyl ether 158.48
    2,5,8-trioxanonane 261.79
    1-hexene 80.96
    2-isopropoxyethanol 173.32
    2,2,2-trifluoroethanol 108.95
    methyl butyrate 219.41

    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
Cinnamomum parthenoxylon (Vietnam) 1a Cinnamomum parthenoxylon (Jack) Nees, fam. Lauraceae 0.3%
Coleus aromaticus (Vietnam) Coleus aromaticus Benth. (wild oregano), fam. Lamiaceae (Labiatae) 0.56%
Hyptis suaveolens (Mali) Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 0.1%