(1S,8aS)-1,2,3,5,6,7,8,8a-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene

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  • Identifiers

    CAS number
    3772-93-8

    Molecular formula
    C15H24

    SMILES
    C[C@H]1CCC2=C(CCC(=C(C)C)C[C@@H]12)C

  • Odor profile

    Woody 85.14%
    Sweet 65.95%
    Spicy 59.38%
    Balsamic 49.1%
    Dry 43.39%
    Herbal 40.24%
    Terpenic 39.79%
    Citrus 39.21%
    Fresh 35.5%
    Amber 32.92%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    289°C

    Flash point est.
    76.64 ˚C

  • Synonyms

    • 3772-93-8
    • (1S,8aS)-1,2,3,5,6,7,8,8a-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene
    • Bulnesene, beta-
    • LJZ6Q98YHV
    • DTXSID601137341
    • Guaia-1(10),7(11)-diene
    • Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S,8aS)-
    • Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-trans)-

  • Applications

    (1S,8aS)-1,2,3,5,6,7,8,8a-Octahydro-1,4-dimethyl-7-(1-methylethylidene)azulene (CAS 3772-93-8) is a sesquiterpene hydrocarbon of the guaiane/partially hydrogenated azulene family, commonly found in leaf and wood essential oils (e.g., patchouli, guaiacwood), and is therefore used mainly in perfumery as a warm woody, balsamic note to add depth and substantivity to patchouli, vetiver, amber, and geranium accords; in flavors it is occasionally employed at trace levels to impart woody–earthy nuances to beverages and confectionery; in research, the defined enantiomer serves as a reference standard for GC/GC–MS and chiral GC to identify/quantify sesquiterpenes in essential oils, to monitor aroma changes during storage/processing, and as a chemotaxonomic marker; moreover, owing to its rigid carbon framework and multiple stereocenters, it is explored as a starting point for stereocontrolled derivatization and as a model compound in exploratory studies of antimicrobial, antioxidant, or insect-modulating activities.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.36
    methanol 50.74
    isopropanol 138.35
    water 0.08
    ethyl acetate 428.68
    n-propanol 150.47
    acetone 281.75
    n-butanol 195.05
    acetonitrile 198.76
    DMF 206.58
    toluene 765.99
    isobutanol 138.86
    1,4-dioxane 969.64
    methyl acetate 309.05
    THF 1286.29
    2-butanone 396.04
    n-pentanol 144.33
    sec-butanol 149.09
    n-hexane 148.04
    ethylene glycol 8.64
    NMP 279.16
    cyclohexane 349.13
    DMSO 135.72
    n-butyl acetate 803.15
    n-octanol 192.65
    chloroform 1192.11
    n-propyl acetate 303.56
    acetic acid 74.74
    dichloromethane 1078.86
    cyclohexanone 699.31
    propylene glycol 22.26
    isopropyl acetate 345.36
    DMAc 244.35
    2-ethoxyethanol 125.27
    isopentanol 200.31
    n-heptane 300.23
    ethyl formate 182.62
    1,2-dichloroethane 554.8
    n-hexanol 371.62
    2-methoxyethanol 145.8
    isobutyl acetate 288.66
    tetrachloromethane 296.62
    n-pentyl acetate 376.27
    transcutol 678.84
    n-heptanol 188.46
    ethylbenzene 384.4
    MIBK 294.19
    2-propoxyethanol 319.55
    tert-butanol 202.13
    MTBE 433.37
    2-butoxyethanol 216.22
    propionic acid 95.81
    o-xylene 401.15
    formic acid 8.9
    diethyl ether 485.82
    m-xylene 458.59
    p-xylene 509.39
    chlorobenzene 577.38
    dimethyl carbonate 97.36
    n-octane 92.89
    formamide 21.98
    cyclopentanone 697.38
    2-pentanone 361.62
    anisole 465.66
    cyclopentyl methyl ether 580.82
    gamma-butyrolactone 517.7
    1-methoxy-2-propanol 163.44
    pyridine 878.83
    3-pentanone 321.63
    furfural 386.78
    n-dodecane 64.24
    diethylene glycol 107.81
    diisopropyl ether 211.41
    tert-amyl alcohol 183.03
    acetylacetone 376.26
    n-hexadecane 76.97
    acetophenone 378.32
    methyl propionate 247.52
    isopentyl acetate 684.15
    trichloroethylene 939.67
    n-nonanol 196.37
    cyclohexanol 261.2
    benzyl alcohol 222.99
    2-ethylhexanol 357.71
    isooctanol 176.76
    dipropyl ether 715.23
    1,2-dichlorobenzene 485.58
    ethyl lactate 85.42
    propylene carbonate 350.41
    n-methylformamide 70.38
    2-pentanol 153.85
    n-pentane 126.47
    1-propoxy-2-propanol 322.5
    1-methoxy-2-propyl acetate 470.06
    2-(2-methoxypropoxy) propanol 268.98
    mesitylene 303.12
    ε-caprolactone 540.92
    p-cymene 378.71
    epichlorohydrin 610.49
    1,1,1-trichloroethane 704.86
    2-aminoethanol 27.66
    morpholine-4-carbaldehyde 364.56
    sulfolane 373.44
    2,2,4-trimethylpentane 64.64
    2-methyltetrahydrofuran 926.89
    n-hexyl acetate 456.06
    isooctane 66.06
    2-(2-butoxyethoxy)ethanol 329.0
    sec-butyl acetate 275.86
    tert-butyl acetate 384.2
    decalin 156.66
    glycerin 27.62
    diglyme 656.88
    acrylic acid 66.07
    isopropyl myristate 256.61
    n-butyric acid 225.92
    acetyl acetate 299.13
    di(2-ethylhexyl) phthalate 193.98
    ethyl propionate 275.71
    nitromethane 148.36
    1,2-diethoxyethane 663.22
    benzonitrile 414.65
    trioctyl phosphate 138.15
    1-bromopropane 565.91
    gamma-valerolactone 597.47
    n-decanol 154.76
    triethyl phosphate 198.79
    4-methyl-2-pentanol 131.01
    propionitrile 280.04
    vinylene carbonate 323.41
    1,1,2-trichlorotrifluoroethane 209.02
    DMS 278.5
    cumene 263.74
    2-octanol 148.62
    2-hexanone 323.52
    octyl acetate 273.33
    limonene 456.26
    1,2-dimethoxyethane 466.96
    ethyl orthosilicate 215.87
    tributyl phosphate 165.68
    diacetone alcohol 233.32
    N,N-dimethylaniline 313.55
    acrylonitrile 228.75
    aniline 353.38
    1,3-propanediol 66.8
    bromobenzene 754.08
    dibromomethane 800.84
    1,1,2,2-tetrachloroethane 680.69
    2-methyl-cyclohexyl acetate 424.36
    tetrabutyl urea 221.74
    diisobutyl methanol 223.74
    2-phenylethanol 359.56
    styrene 435.63
    dioctyl adipate 297.64
    dimethyl sulfate 108.71
    ethyl butyrate 541.63
    methyl lactate 67.72
    butyl lactate 173.94
    diethyl carbonate 312.55
    propanediol butyl ether 135.8
    triethyl orthoformate 370.67
    p-tert-butyltoluene 345.97
    methyl 4-tert-butylbenzoate 323.41
    morpholine 808.96
    tert-butylamine 188.49
    n-dodecanol 127.57
    dimethoxymethane 259.28
    ethylene carbonate 298.7
    cyrene 201.74
    2-ethoxyethyl acetate 419.09
    2-ethylhexyl acetate 635.35
    1,2,4-trichlorobenzene 532.98
    4-methylpyridine 807.22
    dibutyl ether 474.53
    2,6-dimethyl-4-heptanol 223.74
    DEF 309.43
    dimethyl isosorbide 546.77
    tetrachloroethylene 434.49
    eugenol 241.97
    triacetin 313.55
    span 80 253.4
    1,4-butanediol 30.18
    1,1-dichloroethane 557.76
    2-methyl-1-pentanol 173.1
    methyl formate 67.05
    2-methyl-1-butanol 171.95
    n-decane 111.25
    butyronitrile 350.5
    3,7-dimethyl-1-octanol 225.9
    1-chlorooctane 270.05
    1-chlorotetradecane 121.51
    n-nonane 108.1
    undecane 81.06
    tert-butylcyclohexane 128.85
    cyclooctane 149.75
    cyclopentanol 222.33
    tetrahydropyran 1148.88
    tert-amyl methyl ether 288.41
    2,5,8-trioxanonane 464.75
    1-hexene 339.08
    2-isopropoxyethanol 137.37
    2,2,2-trifluoroethanol 28.51
    methyl butyrate 317.6

    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
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Guaiacwood 1 8016-23-7 Bulnesia sarmienti Lorentz ex Griseb, fam. Zygophyllaceae 2.5%
Tea Tree 1 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.2%