8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate

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  • Identifiers

    CAS number
    892395-81-2

    Molecular formula
    C25H38O5

    SMILES
    CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

  • Odor profile

    Fragrance
    Woody 45.44%
    Floral 36.08%
    Herbal 35.42%
    Green 34.97%
    Fresh 29.84%
    Spicy 28.92%
    Sweet 28.55%
    Lactonic 26.83%
    Jasmin 26.41%
    Mint 25.73%

     

    Flavor
    Bitter 65.77%
    Herbal 28.68%
    Minty 25.76%
    Cedarleaf 23.04%
    Lovage 20.67%
    Ripe apricot 19.91%
    Parsley 19.7%
    Leaves 19.58%
    Red fruit 19.57%
    Heather 19.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.65 (neutral)

    Molecular weight
    418.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    569°C

    Flash point

    • 188.13 ˚C est.

  • Synonyms

    • Simvastatin D6
    • 892395-81-2
    • Statin
    • DTXSID60861018
    • [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    • (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    • 2,2-dimethylbutanoic acid [8-[2-(4-hydroxy-6-oxo-2-oxanyl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
    • 8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
    • 8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    • SCHEMBL5672857
    • CHEMBL1414674
    • CHEBI:91894
    • DTXCID80208643
    • RYMZZMVNJRMUDD-UHFFFAOYSA-N
    • HMS3268B03
    • HMS3369B21
    • Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1.alpha.,3.alpha.,7.beta.,8.beta.(2S*,4S*),8a.beta.]]-
    • CQB34771
    • AKOS030228609
    • NCGC00095119-01
    • NCGC00095119-02
    • SY002874
    • EN300-296074
    • BRD-A81772229-001-01-6
    • BRD-A81772229-001-03-2
    • Q27163691
    • (1R,3S,7R,8R,8aS)-8-{2-[(2R,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
    • (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Hydroxy-6-oxo-tetrahydro-2H-2-pyranyl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-Dimethylbutanoate
    • 8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl2,2-dimethylbutanoate

  • Applications

    CAS 892395-81-2 is 8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate. It is primarily encountered as a specialty aroma compound and fragrance intermediate; in perfumery and cosmetic formulations it can contribute to or tailor scent profiles and is often evaluated for use as a fragrance ingredient or aroma additive. It may also be employed in household products and cleaners to impart odor or mask undesired smells. In the flavor sector it may be considered as an aroma component in select applications, where permitted. Additionally, as an ester-based specialty chemical, it can serve as an intermediate in organic synthesis for polymers, coatings, or pharmaceutical fine chemicals, and may be used as a processing aid or odor-related additive in coatings or inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.7
    methanol 76.54
    isopropanol 119.39
    water 0.04
    ethyl acetate 128.45
    n-propanol 149.49
    acetone 165.69
    n-butanol 133.7
    acetonitrile 48.55
    DMF 208.71
    toluene 118.15
    isobutanol 116.2
    1,4-dioxane 264.45
    methyl acetate 114.67
    THF 488.26
    2-butanone 154.1
    n-pentanol 115.03
    sec-butanol 121.54
    n-hexane 9.59
    ethylene glycol 7.08
    NMP 229.36
    cyclohexane 15.46
    DMSO 166.71
    n-butyl acetate 108.17
    n-octanol 64.02
    chloroform 371.86
    n-propyl acetate 95.08
    acetic acid 149.24
    dichloromethane 250.37
    cyclohexanone 226.78
    propylene glycol 25.04
    isopropyl acetate 99.86
    DMAc 297.46
    2-ethoxyethanol 169.14
    isopentanol 114.74
    n-heptane 4.91
    ethyl formate 67.89
    1,2-dichloroethane 173.92
    n-hexanol 118.82
    2-methoxyethanol 183.26
    isobutyl acetate 76.55
    tetrachloromethane 42.22
    n-pentyl acetate 110.67
    transcutol 651.06
    n-heptanol 69.38
    ethylbenzene 51.83
    MIBK 110.02
    2-propoxyethanol 250.76
    tert-butanol 97.15
    MTBE 105.28
    2-butoxyethanol 166.43
    propionic acid 87.98
    o-xylene 64.6
    formic acid 34.2
    diethyl ether 158.34
    m-xylene 71.94
    p-xylene 54.48
    chlorobenzene 111.16
    dimethyl carbonate 69.11
    n-octane 2.56
    formamide 48.55
    cyclopentanone 242.57
    2-pentanone 152.09
    anisole 90.26
    cyclopentyl methyl ether 191.98
    gamma-butyrolactone 236.07
    1-methoxy-2-propanol 206.76
    pyridine 177.79
    3-pentanone 119.95
    furfural 178.68
    n-dodecane 2.15
    diethylene glycol 115.79
    diisopropyl ether 40.87
    tert-amyl alcohol 99.89
    acetylacetone 153.36
    n-hexadecane 2.53
    acetophenone 96.64
    methyl propionate 120.08
    isopentyl acetate 113.75
    trichloroethylene 337.3
    n-nonanol 65.39
    cyclohexanol 121.12
    benzyl alcohol 93.48
    2-ethylhexanol 62.19
    isooctanol 56.37
    dipropyl ether 63.82
    1,2-dichlorobenzene 99.12
    ethyl lactate 62.5
    propylene carbonate 121.55
    n-methylformamide 90.91
    2-pentanol 104.65
    n-pentane 11.93
    1-propoxy-2-propanol 165.79
    1-methoxy-2-propyl acetate 158.65
    2-(2-methoxypropoxy) propanol 147.71
    mesitylene 37.62
    ε-caprolactone 216.13
    p-cymene 27.86
    epichlorohydrin 338.4
    1,1,1-trichloroethane 153.03
    2-aminoethanol 38.74
    morpholine-4-carbaldehyde 271.63
    sulfolane 235.0
    2,2,4-trimethylpentane 7.3
    2-methyltetrahydrofuran 268.94
    n-hexyl acetate 146.48
    isooctane 4.85
    2-(2-butoxyethoxy)ethanol 229.58
    sec-butyl acetate 75.15
    tert-butyl acetate 103.64
    decalin 9.35
    glycerin 37.97
    diglyme 350.06
    acrylic acid 67.24
    isopropyl myristate 48.58
    n-butyric acid 144.18
    acetyl acetate 84.46
    di(2-ethylhexyl) phthalate 62.47
    ethyl propionate 80.11
    nitromethane 167.26
    1,2-diethoxyethane 178.39
    benzonitrile 79.97
    trioctyl phosphate 42.69
    1-bromopropane 132.13
    gamma-valerolactone 339.1
    n-decanol 43.96
    triethyl phosphate 44.48
    4-methyl-2-pentanol 63.37
    propionitrile 65.01
    vinylene carbonate 114.58
    1,1,2-trichlorotrifluoroethane 199.04
    DMS 106.51
    cumene 33.87
    2-octanol 45.38
    2-hexanone 107.88
    octyl acetate 71.99
    limonene 40.66
    1,2-dimethoxyethane 196.53
    ethyl orthosilicate 46.88
    tributyl phosphate 48.06
    diacetone alcohol 131.84
    N,N-dimethylaniline 68.29
    acrylonitrile 65.46
    aniline 118.73
    1,3-propanediol 88.0
    bromobenzene 109.79
    dibromomethane 182.61
    1,1,2,2-tetrachloroethane 284.28
    2-methyl-cyclohexyl acetate 77.15
    tetrabutyl urea 62.57
    diisobutyl methanol 31.77
    2-phenylethanol 107.96
    styrene 56.25
    dioctyl adipate 75.26
    dimethyl sulfate 93.89
    ethyl butyrate 75.05
    methyl lactate 80.21
    butyl lactate 95.64
    diethyl carbonate 49.42
    propanediol butyl ether 137.99
    triethyl orthoformate 64.55
    p-tert-butyltoluene 26.54
    methyl 4-tert-butylbenzoate 115.17
    morpholine 331.78
    tert-butylamine 55.7
    n-dodecanol 28.36
    dimethoxymethane 224.63
    ethylene carbonate 106.44
    cyrene 115.68
    2-ethoxyethyl acetate 178.23
    2-ethylhexyl acetate 87.32
    1,2,4-trichlorobenzene 123.42
    4-methylpyridine 181.32
    dibutyl ether 61.74
    2,6-dimethyl-4-heptanol 31.77
    DEF 151.8
    dimethyl isosorbide 214.17
    tetrachloroethylene 173.89
    eugenol 106.19
    triacetin 142.29
    span 80 132.94
    1,4-butanediol 39.52
    1,1-dichloroethane 169.92
    2-methyl-1-pentanol 98.6
    methyl formate 66.58
    2-methyl-1-butanol 120.4
    n-decane 4.66
    butyronitrile 77.69
    3,7-dimethyl-1-octanol 61.44
    1-chlorooctane 31.9
    1-chlorotetradecane 10.14
    n-nonane 3.93
    undecane 3.02
    tert-butylcyclohexane 7.55
    cyclooctane 5.44
    cyclopentanol 122.18
    tetrahydropyran 275.58
    tert-amyl methyl ether 91.37
    2,5,8-trioxanonane 221.99
    1-hexene 43.77
    2-isopropoxyethanol 141.35
    2,2,2-trifluoroethanol 50.62
    methyl butyrate 95.36

    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