(1R,3aR,8aR)-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    255062-40-9

    Molecular formula
    C15H26O

    SMILES
    CC1=CC[C@]2(CC[C@]([C@@H]2CC1)(C(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 61.99%
    Herbal 56.78%
    Spicy 56.33%
    Earthy 51.19%
    Green 50.96%
    Citrus 43.04%
    Fresh 40.53%
    Sweet 39.66%
    Terpenic 35.73%
    Mint 35.06%

     

    Flavor
    Woody 52.03%
    Sweet 45.2%
    Herbal 42.0%
    Earthy 41.61%
    Green 38.86%
    Herb 36.58%
    Pine 36.27%
    Minty 35.89%
    Spicy 34.51%
    Fresh 33.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.24 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    295°C

    Flash point

    • 100.12 ˚C est.

  • Synonyms

    • CHEMBL4649581
    • DTXSID501120741
    • (1R,3aR,8aR)-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol
    • 255062-40-9
    • rel-(+)-(1R,3aR,8aR)-1,2,3,3a,4,7,8,8a-Octahydro-3a,6-dimethyl-1-(1-methylethyl)-1-azulenol
    • 255062-40-9

  • Applications

    CAS 255062-40-9 (1R,3aR,8aR)-3a,6-dimethyl-1-(propan-2-yl)-1,2,3,3a,4,7,8,8a-octahydroazulen-1-ol is primarily used as an odorant and fragrance fixative in perfumes, cosmetics, and personal care products; it provides a chiral scaffold and serves as a precursor for the synthesis of fine chemicals, including pharmaceuticals and agrochemicals; it may function as a building block for the synthesis of flavors and aroma compounds for the food sector; and it is considered a precursor for complex organic compounds in the industrial chemicals arena.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 675.39
    methanol 616.78
    isopropanol 817.43
    water 2.45
    ethyl acetate 843.66
    n-propanol 699.36
    acetone 992.72
    n-butanol 725.67
    acetonitrile 779.15
    DMF 1258.88
    toluene 1029.77
    isobutanol 633.47
    1,4-dioxane 2005.34
    methyl acetate 698.17
    THF 2702.02
    2-butanone 882.57
    n-pentanol 367.96
    sec-butanol 542.64
    n-hexane 155.25
    ethylene glycol 74.83
    NMP 660.63
    cyclohexane 371.32
    DMSO 519.37
    n-butyl acetate 747.48
    n-octanol 390.48
    chloroform 2190.88
    n-propyl acetate 481.16
    acetic acid 347.1
    dichloromethane 1460.66
    cyclohexanone 1299.62
    propylene glycol 128.8
    isopropyl acetate 771.84
    DMAc 860.77
    2-ethoxyethanol 467.32
    isopentanol 673.48
    n-heptane 150.07
    ethyl formate 464.06
    1,2-dichloroethane 870.25
    n-hexanol 692.71
    2-methoxyethanol 782.94
    isobutyl acetate 445.97
    tetrachloromethane 537.19
    n-pentyl acetate 563.28
    transcutol 1659.97
    n-heptanol 418.05
    ethylbenzene 469.82
    MIBK 665.19
    2-propoxyethanol 851.89
    tert-butanol 889.28
    MTBE 1149.89
    2-butoxyethanol 625.02
    propionic acid 345.11
    o-xylene 566.65
    formic acid 98.33
    diethyl ether 1041.68
    m-xylene 698.2
    p-xylene 630.67
    chlorobenzene 811.28
    dimethyl carbonate 355.49
    n-octane 69.55
    formamide 186.88
    cyclopentanone 1368.91
    2-pentanone 863.21
    anisole 719.7
    cyclopentyl methyl ether 1044.96
    gamma-butyrolactone 1114.01
    1-methoxy-2-propanol 750.12
    pyridine 1313.7
    3-pentanone 653.7
    furfural 901.29
    n-dodecane 48.83
    diethylene glycol 432.93
    diisopropyl ether 456.82
    tert-amyl alcohol 574.0
    acetylacetone 925.05
    n-hexadecane 58.91
    acetophenone 554.61
    methyl propionate 584.84
    isopentyl acetate 789.04
    trichloroethylene 1511.07
    n-nonanol 347.1
    cyclohexanol 642.01
    benzyl alcohol 440.36
    2-ethylhexanol 430.31
    isooctanol 368.14
    dipropyl ether 597.57
    1,2-dichlorobenzene 677.44
    ethyl lactate 213.44
    propylene carbonate 691.92
    n-methylformamide 444.42
    2-pentanol 498.15
    n-pentane 193.07
    1-propoxy-2-propanol 656.79
    1-methoxy-2-propyl acetate 752.42
    2-(2-methoxypropoxy) propanol 479.7
    mesitylene 503.09
    ε-caprolactone 988.65
    p-cymene 323.3
    epichlorohydrin 1260.91
    1,1,1-trichloroethane 1187.26
    2-aminoethanol 202.27
    morpholine-4-carbaldehyde 1057.85
    sulfolane 883.63
    2,2,4-trimethylpentane 104.27
    2-methyltetrahydrofuran 1418.44
    n-hexyl acetate 757.89
    isooctane 108.73
    2-(2-butoxyethoxy)ethanol 663.33
    sec-butyl acetate 433.07
    tert-butyl acetate 817.2
    decalin 158.91
    glycerin 186.07
    diglyme 1329.55
    acrylic acid 262.09
    isopropyl myristate 325.68
    n-butyric acid 653.39
    acetyl acetate 572.14
    di(2-ethylhexyl) phthalate 254.68
    ethyl propionate 470.86
    nitromethane 672.95
    1,2-diethoxyethane 797.61
    benzonitrile 708.63
    trioctyl phosphate 207.84
    1-bromopropane 760.27
    gamma-valerolactone 1558.4
    n-decanol 240.51
    triethyl phosphate 246.33
    4-methyl-2-pentanol 388.01
    propionitrile 844.65
    vinylene carbonate 722.82
    1,1,2-trichlorotrifluoroethane 645.99
    DMS 508.81
    cumene 350.09
    2-octanol 299.63
    2-hexanone 523.49
    octyl acetate 357.01
    limonene 400.65
    1,2-dimethoxyethane 1154.91
    ethyl orthosilicate 258.53
    tributyl phosphate 233.28
    diacetone alcohol 612.11
    N,N-dimethylaniline 485.05
    acrylonitrile 745.69
    aniline 729.53
    1,3-propanediol 402.5
    bromobenzene 931.82
    dibromomethane 1012.16
    1,1,2,2-tetrachloroethane 1291.47
    2-methyl-cyclohexyl acetate 437.21
    tetrabutyl urea 281.85
    diisobutyl methanol 303.45
    2-phenylethanol 573.24
    styrene 526.61
    dioctyl adipate 356.49
    dimethyl sulfate 415.42
    ethyl butyrate 512.69
    methyl lactate 259.97
    butyl lactate 359.84
    diethyl carbonate 348.42
    propanediol butyl ether 450.02
    triethyl orthoformate 405.69
    p-tert-butyltoluene 344.52
    methyl 4-tert-butylbenzoate 571.17
    morpholine 1689.44
    tert-butylamine 686.09
    n-dodecanol 179.98
    dimethoxymethane 1015.17
    ethylene carbonate 668.04
    cyrene 382.33
    2-ethoxyethyl acetate 660.58
    2-ethylhexyl acetate 621.55
    1,2,4-trichlorobenzene 732.04
    4-methylpyridine 1356.21
    dibutyl ether 508.89
    2,6-dimethyl-4-heptanol 303.45
    DEF 728.09
    dimethyl isosorbide 804.1
    tetrachloroethylene 904.98
    eugenol 476.01
    triacetin 555.46
    span 80 424.43
    1,4-butanediol 135.26
    1,1-dichloroethane 1103.24
    2-methyl-1-pentanol 366.17
    methyl formate 358.59
    2-methyl-1-butanol 571.88
    n-decane 91.79
    butyronitrile 934.74
    3,7-dimethyl-1-octanol 399.75
    1-chlorooctane 303.28
    1-chlorotetradecane 121.6
    n-nonane 88.73
    undecane 64.87
    tert-butylcyclohexane 149.37
    cyclooctane 154.59
    cyclopentanol 625.95
    tetrahydropyran 1857.38
    tert-amyl methyl ether 601.95
    2,5,8-trioxanonane 763.03
    1-hexene 389.47
    2-isopropoxyethanol 387.72
    2,2,2-trifluoroethanol 174.1
    methyl butyrate 559.35

    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