(5R,5aR,8aR,9S,9aR)-9-hydroxy-5,7,7-trimethyl-1,5,5a,6,8,8a,9,9a-octahydroazuleno[5,6-c]furan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62860-40-6

    Molecular formula
    C15H22O3

    SMILES
    C[C@H]1C=C2[C@H](COC2=O)[C@H]([C@H]3[C@@H]1CC(C3)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.18%
    Spicy 52.29%
    Herbal 36.43%
    Mint 30.27%
    Balsamic 27.33%
    Odorless 25.75%
    Sweet 24.0%
    Amber 23.68%
    Tobacco 23.55%
    Camphoreous 23.54%

     

    Flavor
    Bitter 75.37%
    Herbal 27.37%
    Cedarleaf 22.93%
    Minty 22.46%
    Lovage 21.36%
    Ripe apricot 21.17%
    Red fruit 20.74%
    Spicy 20.37%
    Leaves 20.02%
    Green tea 19.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.41 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point

    • 159.74 ˚C est.

  • Synonyms

    • DTXSID901111976
    • 62860-40-6
    • (3aR,4S,4aR,7aR,8R)-3a,4,4a,5,6,7,7a,8-Octahydro-4-hydroxy-6,6,8-trimethylazuleno[5,6-c]furan-1(3H)-one
    • (3aR,4S,4aR,7aR,8R)-4-Hydroxy-6,6,8-trimethyl-3a,4,4a,5,6,7,7a,8-octahydroazuleno[5,6-c]furan-1(3H)-one
    • 62860-40-6

  • Applications

    The chemical (5R,5aR,8aR,9S,9aR)-9-hydroxy-5,7,7-trimethyl-1,5,5a,6,8,8a,9,9a-octahydroazuleno[5,6-c]furan-3-one (CAS 62860-40-6) is commonly used as a chiral intermediate and odor-active component. In perfumery and cosmetics, it may function as a fragrance ingredient or fixative due to its distinctive lactone scaffold. It is often evaluated as an intermediate in pharmaceutical and agrochemical synthesis, and can serve as a scaffold precursor for specialty polymers or coatings. Additionally, formulations subject to local regulations may incorporate it in household fragrance products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 250.16
    methanol 330.38
    isopropanol 287.85
    water 1.33
    ethyl acetate 254.32
    n-propanol 243.3
    acetone 375.96
    n-butanol 233.89
    acetonitrile 185.34
    DMF 419.62
    toluene 135.89
    isobutanol 185.28
    1,4-dioxane 432.77
    methyl acetate 224.13
    THF 908.07
    2-butanone 330.98
    n-pentanol 104.49
    sec-butanol 143.0
    n-hexane 3.23
    ethylene glycol 91.97
    NMP 202.26
    cyclohexane 8.42
    DMSO 389.83
    n-butyl acetate 172.08
    n-octanol 71.2
    chloroform 596.37
    n-propyl acetate 139.45
    acetic acid 160.35
    dichloromethane 408.4
    cyclohexanone 330.91
    propylene glycol 92.13
    isopropyl acetate 220.37
    DMAc 292.53
    2-ethoxyethanol 223.56
    isopentanol 214.29
    n-heptane 3.68
    ethyl formate 179.43
    1,2-dichloroethane 288.98
    n-hexanol 145.06
    2-methoxyethanol 458.87
    isobutyl acetate 128.41
    tetrachloromethane 60.84
    n-pentyl acetate 131.46
    transcutol 444.94
    n-heptanol 88.98
    ethylbenzene 61.61
    MIBK 207.85
    2-propoxyethanol 333.4
    tert-butanol 250.76
    MTBE 160.0
    2-butoxyethanol 197.88
    propionic acid 138.57
    o-xylene 74.17
    formic acid 103.71
    diethyl ether 172.14
    m-xylene 106.36
    p-xylene 81.21
    chlorobenzene 172.57
    dimethyl carbonate 144.51
    n-octane 3.35
    formamide 136.45
    cyclopentanone 487.14
    2-pentanone 276.75
    anisole 157.66
    cyclopentyl methyl ether 229.63
    gamma-butyrolactone 436.35
    1-methoxy-2-propanol 380.98
    pyridine 302.03
    3-pentanone 173.94
    furfural 337.38
    n-dodecane 4.11
    diethylene glycol 309.16
    diisopropyl ether 56.27
    tert-amyl alcohol 130.61
    acetylacetone 309.83
    n-hexadecane 4.85
    acetophenone 152.78
    methyl propionate 208.44
    isopentyl acetate 190.09
    trichloroethylene 521.99
    n-nonanol 66.35
    cyclohexanol 143.66
    benzyl alcohol 152.14
    2-ethylhexanol 73.64
    isooctanol 75.35
    dipropyl ether 57.5
    1,2-dichlorobenzene 155.4
    ethyl lactate 109.08
    propylene carbonate 247.13
    n-methylformamide 248.22
    2-pentanol 131.89
    n-pentane 5.29
    1-propoxy-2-propanol 198.77
    1-methoxy-2-propyl acetate 243.08
    2-(2-methoxypropoxy) propanol 158.19
    mesitylene 60.84
    ε-caprolactone 262.99
    p-cymene 46.51
    epichlorohydrin 528.75
    1,1,1-trichloroethane 224.86
    2-aminoethanol 141.0
    morpholine-4-carbaldehyde 326.55
    sulfolane 367.01
    2,2,4-trimethylpentane 5.14
    2-methyltetrahydrofuran 334.07
    n-hexyl acetate 158.99
    isooctane 6.72
    2-(2-butoxyethoxy)ethanol 224.82
    sec-butyl acetate 117.53
    tert-butyl acetate 208.5
    decalin 8.03
    glycerin 156.86
    diglyme 337.9
    acrylic acid 130.22
    isopropyl myristate 61.88
    n-butyric acid 249.68
    acetyl acetate 173.37
    di(2-ethylhexyl) phthalate 74.08
    ethyl propionate 130.28
    nitromethane 282.31
    1,2-diethoxyethane 139.85
    benzonitrile 191.73
    trioctyl phosphate 59.0
    1-bromopropane 140.24
    gamma-valerolactone 523.05
    n-decanol 50.03
    triethyl phosphate 64.18
    4-methyl-2-pentanol 105.15
    propionitrile 200.05
    vinylene carbonate 240.97
    1,1,2-trichlorotrifluoroethane 319.9
    DMS 161.66
    cumene 49.49
    2-octanol 59.34
    2-hexanone 135.12
    octyl acetate 77.91
    limonene 49.37
    1,2-dimethoxyethane 292.73
    ethyl orthosilicate 60.63
    tributyl phosphate 64.26
    diacetone alcohol 236.72
    N,N-dimethylaniline 94.38
    acrylonitrile 249.69
    aniline 172.18
    1,3-propanediol 259.99
    bromobenzene 171.05
    dibromomethane 263.98
    1,1,2,2-tetrachloroethane 386.61
    2-methyl-cyclohexyl acetate 98.98
    tetrabutyl urea 78.59
    diisobutyl methanol 54.18
    2-phenylethanol 167.0
    styrene 66.25
    dioctyl adipate 81.07
    dimethyl sulfate 196.72
    ethyl butyrate 107.65
    methyl lactate 160.53
    butyl lactate 122.44
    diethyl carbonate 84.04
    propanediol butyl ether 178.09
    triethyl orthoformate 82.34
    p-tert-butyltoluene 46.16
    methyl 4-tert-butylbenzoate 143.63
    morpholine 451.85
    tert-butylamine 114.19
    n-dodecanol 37.15
    dimethoxymethane 392.58
    ethylene carbonate 216.28
    cyrene 159.16
    2-ethoxyethyl acetate 199.08
    2-ethylhexyl acetate 133.19
    1,2,4-trichlorobenzene 181.78
    4-methylpyridine 290.19
    dibutyl ether 53.56
    2,6-dimethyl-4-heptanol 54.18
    DEF 179.12
    dimethyl isosorbide 244.56
    tetrachloroethylene 230.94
    eugenol 164.03
    triacetin 142.97
    span 80 124.88
    1,4-butanediol 95.78
    1,1-dichloroethane 292.61
    2-methyl-1-pentanol 101.7
    methyl formate 225.27
    2-methyl-1-butanol 156.27
    n-decane 6.49
    butyronitrile 212.77
    3,7-dimethyl-1-octanol 76.95
    1-chlorooctane 38.9
    1-chlorotetradecane 16.23
    n-nonane 5.24
    undecane 5.08
    tert-butylcyclohexane 7.95
    cyclooctane 4.27
    cyclopentanol 171.83
    tetrahydropyran 360.33
    tert-amyl methyl ether 96.58
    2,5,8-trioxanonane 231.68
    1-hexene 20.37
    2-isopropoxyethanol 172.3
    2,2,2-trifluoroethanol 104.32
    methyl butyrate 154.7

    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