5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,3abeta,5alpha,8alpha,8abeta))-

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  • Identifiers

    CAS number
    3526-75-8

    Molecular formula
    C15H28O

    SMILES
    CC1CCC(CC2C1CCC2C)C(C)(C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Floral 67.57%
    Woody 63.27%
    Sweet 44.81%
    Rose 43.83%
    Herbal 42.19%
    Fresh 39.34%
    Citrus 39.23%
    Clean 37.5%
    Spicy 37.37%
    Balsamic 35.77%

     

    Flavor
    Sweet 55.62%
    Green 39.43%
    Woody 38.05%
    Pine 34.6%
    Herbal 32.93%
    Wood 31.59%
    Herb 31.15%
    Rose 28.96%
    Minty 26.65%
    Tea 26.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.09 (weak base)

    Molecular weight
    224.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 98.46 ˚C est.

  • Synonyms

    • 2-(3,8-dimethyldecahydroazulen-5-yl)propan-2-ol
    • 3526-75-8
    • 2-(3,8-dimethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-5-yl)propan-2-ol
    • EINECS 222-546-0
    • 5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,3abeta,5alpha,8alpha,8abeta))-
    • 5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S,3aS,5R,8S,8aS)-
    • DTXSID30863185
    • 5-Azulenemethanol, decahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,3a.beta.,5.alpha.,8.alpha.,8a.beta.)]-
    • NS00012189
    • (3S-(3alpha,3Abeta,5alpha,8alpha,8abeta))-decahydro-alpha,alpha,3,8-tetramethylazulene-5-methanol

  • Applications

    5-Azulenemethanol, decahydro-alpha,alpha,3,8-tetramethyl-, (3S-(3alpha,3abeta,5alpha,8alpha,8abeta))-, CAS number: 3526-75-8 is primarily used as a chiral building block and intermediate in asymmetric synthesis for complex organic molecules, including potential pharmaceutical and agrochemical candidates, and it can serve as a scaffold for stereoselective transformations and enantiomerically enriched derivatives. In the fragrance industry, the compound may be evaluated as a fragrance ingredient or odorant, acting as a fixed or structured scent component within specialty formulations, subject to regulatory compliance. In research and development, it is used as a model azulene-derived saturated framework to study conformational effects and to prepare related derivatives. In materials science, it is explored as a niche building block for specialty polymers or functional materials where rigid, polycyclic hydrocarbon motifs can influence properties. Additionally, it may be employed as an intermediate in the synthesis of more complex azulenemethane-based compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1177.38
    methanol 850.48
    isopropanol 1407.22
    water 1.55
    ethyl acetate 1019.0
    n-propanol 1171.0
    acetone 1328.4
    n-butanol 1110.2
    acetonitrile 963.23
    DMF 965.9
    toluene 782.06
    isobutanol 927.59
    1,4-dioxane 2537.16
    methyl acetate 866.42
    THF 3830.07
    2-butanone 1089.08
    n-pentanol 488.72
    sec-butanol 838.46
    n-hexane 188.69
    ethylene glycol 95.81
    NMP 609.59
    cyclohexane 496.26
    DMSO 684.92
    n-butyl acetate 1090.59
    n-octanol 410.97
    chloroform 2508.94
    n-propyl acetate 612.01
    acetic acid 422.34
    dichloromethane 1835.03
    cyclohexanone 1422.93
    propylene glycol 249.31
    isopropyl acetate 793.47
    DMAc 640.56
    2-ethoxyethanol 512.87
    isopentanol 915.08
    n-heptane 284.86
    ethyl formate 638.68
    1,2-dichloroethane 1000.95
    n-hexanol 1000.32
    2-methoxyethanol 1014.44
    isobutyl acetate 530.16
    tetrachloromethane 503.15
    n-pentyl acetate 568.26
    transcutol 1557.81
    n-heptanol 457.07
    ethylbenzene 350.89
    MIBK 666.43
    2-propoxyethanol 1104.02
    tert-butanol 1463.84
    MTBE 1428.73
    2-butoxyethanol 637.3
    propionic acid 514.54
    o-xylene 400.81
    formic acid 91.37
    diethyl ether 1302.6
    m-xylene 500.52
    p-xylene 493.94
    chlorobenzene 761.9
    dimethyl carbonate 267.45
    n-octane 94.54
    formamide 179.38
    cyclopentanone 1621.45
    2-pentanone 942.83
    anisole 583.78
    cyclopentyl methyl ether 1114.95
    gamma-butyrolactone 1405.38
    1-methoxy-2-propanol 967.74
    pyridine 1370.0
    3-pentanone 599.65
    furfural 913.82
    n-dodecane 63.98
    diethylene glycol 528.65
    diisopropyl ether 472.41
    tert-amyl alcohol 755.87
    acetylacetone 860.94
    n-hexadecane 75.05
    acetophenone 450.13
    methyl propionate 604.94
    isopentyl acetate 973.43
    trichloroethylene 1523.67
    n-nonanol 359.92
    cyclohexanol 850.29
    benzyl alcohol 407.8
    2-ethylhexanol 588.49
    isooctanol 378.0
    dipropyl ether 1007.64
    1,2-dichlorobenzene 567.19
    ethyl lactate 236.69
    propylene carbonate 802.43
    n-methylformamide 488.28
    2-pentanol 662.99
    n-pentane 238.31
    1-propoxy-2-propanol 980.03
    1-methoxy-2-propyl acetate 844.92
    2-(2-methoxypropoxy) propanol 469.6
    mesitylene 338.34
    ε-caprolactone 1037.44
    p-cymene 311.5
    epichlorohydrin 1423.08
    1,1,1-trichloroethane 1177.37
    2-aminoethanol 316.12
    morpholine-4-carbaldehyde 910.89
    sulfolane 1016.32
    2,2,4-trimethylpentane 106.52
    2-methyltetrahydrofuran 1963.37
    n-hexyl acetate 716.18
    isooctane 115.06
    2-(2-butoxyethoxy)ethanol 695.72
    sec-butyl acetate 445.08
    tert-butyl acetate 787.82
    decalin 144.73
    glycerin 250.8
    diglyme 1294.98
    acrylic acid 322.56
    isopropyl myristate 329.79
    n-butyric acid 982.54
    acetyl acetate 609.8
    di(2-ethylhexyl) phthalate 269.24
    ethyl propionate 501.84
    nitromethane 774.87
    1,2-diethoxyethane 1015.99
    benzonitrile 675.43
    trioctyl phosphate 230.31
    1-bromopropane 1007.53
    gamma-valerolactone 1662.54
    n-decanol 273.58
    triethyl phosphate 266.05
    4-methyl-2-pentanol 452.64
    propionitrile 1044.45
    vinylene carbonate 740.56
    1,1,2-trichlorotrifluoroethane 624.71
    DMS 426.85
    cumene 254.9
    2-octanol 316.81
    2-hexanone 593.19
    octyl acetate 381.84
    limonene 444.95
    1,2-dimethoxyethane 1250.96
    ethyl orthosilicate 277.39
    tributyl phosphate 260.39
    diacetone alcohol 628.63
    N,N-dimethylaniline 353.01
    acrylonitrile 805.81
    aniline 705.19
    1,3-propanediol 601.24
    bromobenzene 838.31
    dibromomethane 1357.71
    1,1,2,2-tetrachloroethane 1256.48
    2-methyl-cyclohexyl acetate 504.55
    tetrabutyl urea 298.61
    diisobutyl methanol 390.34
    2-phenylethanol 530.92
    styrene 414.69
    dioctyl adipate 378.53
    dimethyl sulfate 309.26
    ethyl butyrate 723.66
    methyl lactate 277.95
    butyl lactate 412.53
    diethyl carbonate 435.48
    propanediol butyl ether 505.65
    triethyl orthoformate 500.87
    p-tert-butyltoluene 332.71
    methyl 4-tert-butylbenzoate 457.11
    morpholine 2354.09
    tert-butylamine 1126.22
    n-dodecanol 215.82
    dimethoxymethane 957.3
    ethylene carbonate 720.54
    cyrene 373.69
    2-ethoxyethyl acetate 645.08
    2-ethylhexyl acetate 763.54
    1,2,4-trichlorobenzene 603.55
    4-methylpyridine 1242.71
    dibutyl ether 679.83
    2,6-dimethyl-4-heptanol 390.34
    DEF 649.62
    dimethyl isosorbide 825.05
    tetrachloroethylene 786.46
    eugenol 379.69
    triacetin 532.43
    span 80 502.48
    1,4-butanediol 177.36
    1,1-dichloroethane 1322.72
    2-methyl-1-pentanol 421.25
    methyl formate 385.8
    2-methyl-1-butanol 700.32
    n-decane 120.35
    butyronitrile 1245.5
    3,7-dimethyl-1-octanol 421.65
    1-chlorooctane 325.9
    1-chlorotetradecane 134.39
    n-nonane 121.39
    undecane 84.17
    tert-butylcyclohexane 135.42
    cyclooctane 165.7
    cyclopentanol 967.01
    tetrahydropyran 2609.16
    tert-amyl methyl ether 651.21
    2,5,8-trioxanonane 786.15
    1-hexene 494.75
    2-isopropoxyethanol 433.68
    2,2,2-trifluoroethanol 168.47
    methyl butyrate 628.08

    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