2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate

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  • Identifiers

    CAS number
    67674-42-4

    Molecular formula
    C12H20O3

    SMILES
    CC(=O)OC1CCC(OC1(C)C)(C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 69.51%
    Herbal 63.12%
    Fruity 63.09%
    Sweet 61.58%
    Fresh 56.72%
    Mint 55.76%
    Woody 54.96%
    Green 45.43%
    Citrus 39.77%
    Spicy 38.93%

     

    Flavor
    Sweet 58.87%
    Woody 54.69%
    Herbal 52.24%
    Fruity 49.93%
    Floral 35.86%
    Tropical 34.9%
    Citrus 33.9%
    Minty 31.92%
    Lavender 31.89%
    Camphor 31.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.3 (weak base)

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 102.29 ˚C est.

  • Synonyms

    • 67674-42-4
    • EINECS 266-881-0
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate
    • DTXSID90886855
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, trans-
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, cis-
    • RefChem:484399
    • DTXCID901026173
    • 56752-50-2
    • Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-yl acetate
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, (3R,6S)-rel-
    • 3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
    • 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6S)-rel-
    • 6-ETHENYL-2,2,6-TRIMETHYLOXAN-3-YL ACETATE
    • SCHEMBL11034667
    • DB-310098
    • DS-015946
    • NS00056023
    • (6-Ethenyl-2,2,6-trimethyloxan-3-yl)acetate
    • 3-acetoxy-2,2,6-trimethyl-6-vinyl-tetrahydropyran
    • (6-ETHENYL-2,2,6-TRIMETHYL-OXAN-3-YL) ACETATE
    • (3R,6r)-6-ethenyl-2,2,6-trimethyltetrahydro-2h-pyran-3-yl acetate
    • 56752-50-2

  • Applications

    2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate (CAS 67674-42-4) is primarily encountered as a fragrance-related intermediate and odorant in the fragrance and flavor industries, where it can serve as a synthetic building block for more complex scent compounds and contribute to specific aroma characteristics. In cosmetics and personal care, it may be used as a fragrance ingredient or scent precursor in formulations. It can also be evaluated for use in household products as a fragrance additive. In industrial manufacturing, it functions as a chemical building block for the preparation of specialty terpenoid derivatives and related materials, with potential use as a precursor in polymer or coatings chemistry. Actual usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 579.56
    methanol 780.13
    isopropanol 470.15
    water 10.99
    ethyl acetate 543.34
    n-propanol 504.12
    acetone 675.08
    n-butanol 473.98
    acetonitrile 463.55
    DMF 1441.57
    toluene 379.94
    isobutanol 429.87
    1,4-dioxane 750.3
    methyl acetate 599.55
    THF 1049.26
    2-butanone 649.62
    n-pentanol 313.94
    sec-butanol 470.33
    n-hexane 83.35
    ethylene glycol 191.36
    NMP 1143.87
    cyclohexane 76.39
    DMSO 974.44
    n-butyl acetate 307.88
    n-octanol 177.31
    chloroform 1452.56
    n-propyl acetate 250.57
    acetic acid 632.52
    dichloromethane 1151.77
    cyclohexanone 816.33
    propylene glycol 248.01
    isopropyl acetate 389.07
    DMAc 1666.64
    2-ethoxyethanol 523.17
    isopentanol 451.17
    n-heptane 25.73
    ethyl formate 391.19
    1,2-dichloroethane 759.76
    n-hexanol 337.67
    2-methoxyethanol 838.17
    isobutyl acetate 205.01
    tetrachloromethane 278.34
    n-pentyl acetate 231.55
    transcutol 955.48
    n-heptanol 135.25
    ethylbenzene 219.61
    MIBK 366.07
    2-propoxyethanol 559.53
    tert-butanol 588.83
    MTBE 702.46
    2-butoxyethanol 264.26
    propionic acid 458.48
    o-xylene 285.22
    formic acid 427.54
    diethyl ether 551.74
    m-xylene 307.55
    p-xylene 275.87
    chlorobenzene 447.12
    dimethyl carbonate 289.89
    n-octane 14.07
    formamide 417.82
    cyclopentanone 837.73
    2-pentanone 529.1
    anisole 382.05
    cyclopentyl methyl ether 653.63
    gamma-butyrolactone 897.85
    1-methoxy-2-propanol 659.28
    pyridine 579.55
    3-pentanone 488.94
    furfural 836.94
    n-dodecane 12.56
    diethylene glycol 461.11
    diisopropyl ether 189.14
    tert-amyl alcohol 591.58
    acetylacetone 575.93
    n-hexadecane 14.55
    acetophenone 367.25
    methyl propionate 528.59
    isopentyl acetate 317.11
    trichloroethylene 1300.35
    n-nonanol 145.94
    cyclohexanol 448.24
    benzyl alcohol 300.21
    2-ethylhexanol 184.42
    isooctanol 114.84
    dipropyl ether 172.47
    1,2-dichlorobenzene 418.24
    ethyl lactate 180.17
    propylene carbonate 529.86
    n-methylformamide 684.19
    2-pentanol 339.41
    n-pentane 70.18
    1-propoxy-2-propanol 319.56
    1-methoxy-2-propyl acetate 389.74
    2-(2-methoxypropoxy) propanol 282.38
    mesitylene 185.32
    ε-caprolactone 751.92
    p-cymene 108.53
    epichlorohydrin 1090.09
    1,1,1-trichloroethane 787.98
    2-aminoethanol 326.9
    morpholine-4-carbaldehyde 1051.15
    sulfolane 1035.22
    2,2,4-trimethylpentane 54.24
    2-methyltetrahydrofuran 906.66
    n-hexyl acetate 376.85
    isooctane 33.33
    2-(2-butoxyethoxy)ethanol 364.29
    sec-butyl acetate 233.14
    tert-butyl acetate 409.13
    decalin 64.1
    glycerin 373.66
    diglyme 652.26
    acrylic acid 400.76
    isopropyl myristate 114.69
    n-butyric acid 547.25
    acetyl acetate 380.55
    di(2-ethylhexyl) phthalate 131.06
    ethyl propionate 295.71
    nitromethane 961.96
    1,2-diethoxyethane 299.16
    benzonitrile 365.83
    trioctyl phosphate 95.13
    1-bromopropane 533.38
    gamma-valerolactone 1094.35
    n-decanol 99.76
    triethyl phosphate 135.87
    4-methyl-2-pentanol 216.48
    propionitrile 404.73
    vinylene carbonate 502.39
    1,1,2-trichlorotrifluoroethane 767.8
    DMS 339.37
    cumene 158.61
    2-octanol 112.84
    2-hexanone 313.64
    octyl acetate 153.58
    limonene 151.33
    1,2-dimethoxyethane 789.62
    ethyl orthosilicate 135.56
    tributyl phosphate 133.35
    diacetone alcohol 434.06
    N,N-dimethylaniline 288.2
    acrylonitrile 473.21
    aniline 400.37
    1,3-propanediol 448.79
    bromobenzene 457.67
    dibromomethane 789.2
    1,1,2,2-tetrachloroethane 1225.81
    2-methyl-cyclohexyl acetate 206.23
    tetrabutyl urea 161.82
    diisobutyl methanol 100.22
    2-phenylethanol 276.38
    styrene 247.87
    dioctyl adipate 159.47
    dimethyl sulfate 528.52
    ethyl butyrate 196.9
    methyl lactate 297.83
    butyl lactate 198.37
    diethyl carbonate 154.09
    propanediol butyl ether 294.42
    triethyl orthoformate 161.89
    p-tert-butyltoluene 110.81
    methyl 4-tert-butylbenzoate 279.06
    morpholine 922.64
    tert-butylamine 379.27
    n-dodecanol 71.22
    dimethoxymethane 752.6
    ethylene carbonate 437.58
    cyrene 291.17
    2-ethoxyethyl acetate 327.92
    2-ethylhexyl acetate 271.47
    1,2,4-trichlorobenzene 506.22
    4-methylpyridine 785.92
    dibutyl ether 171.01
    2,6-dimethyl-4-heptanol 100.22
    DEF 709.56
    dimethyl isosorbide 436.05
    tetrachloroethylene 723.18
    eugenol 247.33
    triacetin 317.15
    span 80 215.66
    1,4-butanediol 198.11
    1,1-dichloroethane 801.71
    2-methyl-1-pentanol 320.73
    methyl formate 546.57
    2-methyl-1-butanol 456.9
    n-decane 22.48
    butyronitrile 406.09
    3,7-dimethyl-1-octanol 173.78
    1-chlorooctane 121.6
    1-chlorotetradecane 40.94
    n-nonane 22.19
    undecane 16.16
    tert-butylcyclohexane 63.65
    cyclooctane 32.27
    cyclopentanol 453.81
    tetrahydropyran 740.58
    tert-amyl methyl ether 569.45
    2,5,8-trioxanonane 404.61
    1-hexene 231.92
    2-isopropoxyethanol 329.75
    2,2,2-trifluoroethanol 329.68
    methyl butyrate 371.6

    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