5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran

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  • Identifiers

    CAS number
    1120363-98-5

    Molecular formula
    C13H26O

    SMILES
    CCC1C(CCC(O1)(C)CC)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fresh 63.15%
    Mint 62.8%
    Herbal 61.38%
    Green 54.48%
    Cooling 44.25%
    Camphoreous 42.1%
    Spicy 40.24%
    Citrus 37.6%
    Sweet 36.71%
    Woody 34.58%

     

    Flavor
    Green 63.15%
    Herbal 44.34%
    Minty 41.18%
    Spice 29.8%
    Earthy 29.29%
    Herb 29.27%
    Woody 28.01%
    Fresh 27.79%
    Tropical 25.84%
    Sweet 24.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.05 (weak base)

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 72.72 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4680
    • HI63S8DQ0B
    • UNII-HI63S8DQ0B
    • 1120363-98-5
    • 5-Isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
    • 2,6-diethyl-2-methyl-5-(propan-2-yl)tetrahydro-2H-pyran
    • 2,6-Diethyltetrahydro-5-isopropyl-2-methyl-2H-pyran
    • 2H-Pyran, 2,6-diethyltetrahydro-2-methyl-5-(1-methylethyl)-
    • SCHEMBL583640
    • PSBALWGXLHHTHS-UHFFFAOYSA-N
    • DTXSID301019873
    • NS00124481
    • 2,6-diethyl-5-isopropyl-2-methyltetrahydropyran
    • 2,6-diethyl-5-isopropyl-2-methyl-tetrahydropyran
    • 2,6-Diethyl-5-isopropyl-2-methyltetrahydro-2H-pyran

  • Applications

    5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran, CAS 1120363-98-5, is often considered a fragrance ingredient and fixative in perfumery and cosmetics/personal care, helping to impart and stabilize fragrance in products such as perfumes and personal care items; it may also serve as an organic synthesis intermediate and can function as a solvent or co-solvent in industrial manufacturing. The compound is also evaluated for potential use in household products and coatings/inks as an aroma additive or processing aid, and may be considered in polymers/plastics formulations as a processing modifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1926.4
    methanol 1133.35
    isopropanol 2129.88
    water 0.64
    ethyl acetate 2531.15
    n-propanol 2177.84
    acetone 1753.23
    n-butanol 2557.89
    acetonitrile 1591.83
    DMF 1066.47
    toluene 2610.13
    isobutanol 2257.01
    1,4-dioxane 4134.53
    methyl acetate 1718.03
    THF 5407.6
    2-butanone 2218.16
    n-pentanol 1972.54
    sec-butanol 2368.34
    n-hexane 2757.94
    ethylene glycol 120.59
    NMP 1409.88
    cyclohexane 3744.09
    DMSO 912.97
    n-butyl acetate 4448.63
    n-octanol 2046.54
    chloroform 7204.76
    n-propyl acetate 1910.3
    acetic acid 951.6
    dichloromethane 5088.71
    cyclohexanone 4305.27
    propylene glycol 283.2
    isopropyl acetate 2151.38
    DMAc 1191.67
    2-ethoxyethanol 1150.02
    isopentanol 2725.75
    n-heptane 2514.76
    ethyl formate 1235.18
    1,2-dichloroethane 2789.9
    n-hexanol 4308.75
    2-methoxyethanol 1365.18
    isobutyl acetate 1624.33
    tetrachloromethane 1937.19
    n-pentyl acetate 2454.02
    transcutol 3617.23
    n-heptanol 1939.5
    ethylbenzene 1544.17
    MIBK 1711.32
    2-propoxyethanol 2521.32
    tert-butanol 2865.21
    MTBE 4391.05
    2-butoxyethanol 1561.86
    propionic acid 1059.42
    o-xylene 1644.26
    formic acid 137.68
    diethyl ether 4290.06
    m-xylene 1797.3
    p-xylene 1976.33
    chlorobenzene 2794.47
    dimethyl carbonate 400.8
    n-octane 861.55
    formamide 187.4
    cyclopentanone 2886.86
    2-pentanone 2306.82
    anisole 1619.08
    cyclopentyl methyl ether 3748.5
    gamma-butyrolactone 2509.71
    1-methoxy-2-propanol 1290.36
    pyridine 3048.64
    3-pentanone 1844.82
    furfural 1781.6
    n-dodecane 469.41
    diethylene glycol 773.72
    diisopropyl ether 2022.93
    tert-amyl alcohol 2666.37
    acetylacetone 1537.49
    n-hexadecane 546.15
    acetophenone 1257.66
    methyl propionate 1387.79
    isopentyl acetate 4052.36
    trichloroethylene 4459.32
    n-nonanol 1674.74
    cyclohexanol 3370.09
    benzyl alcohol 1093.38
    2-ethylhexanol 3392.74
    isooctanol 1678.6
    dipropyl ether 3571.25
    1,2-dichlorobenzene 2173.97
    ethyl lactate 548.13
    propylene carbonate 1949.15
    n-methylformamide 555.06
    2-pentanol 2274.06
    n-pentane 1905.6
    1-propoxy-2-propanol 2343.25
    1-methoxy-2-propyl acetate 1972.8
    2-(2-methoxypropoxy) propanol 1181.63
    mesitylene 1331.56
    ε-caprolactone 3740.93
    p-cymene 1431.27
    epichlorohydrin 2999.12
    1,1,1-trichloroethane 3945.73
    2-aminoethanol 403.46
    morpholine-4-carbaldehyde 1723.64
    sulfolane 2136.04
    2,2,4-trimethylpentane 922.67
    2-methyltetrahydrofuran 5286.97
    n-hexyl acetate 3234.97
    isooctane 772.12
    2-(2-butoxyethoxy)ethanol 1522.91
    sec-butyl acetate 1606.44
    tert-butyl acetate 2062.61
    decalin 1296.58
    glycerin 281.78
    diglyme 2754.93
    acrylic acid 581.82
    isopropyl myristate 1289.44
    n-butyric acid 2255.65
    acetyl acetate 1306.64
    di(2-ethylhexyl) phthalate 845.43
    ethyl propionate 1508.02
    nitromethane 1036.55
    1,2-diethoxyethane 2722.21
    benzonitrile 2041.54
    trioctyl phosphate 738.69
    1-bromopropane 3729.15
    gamma-valerolactone 2904.25
    n-decanol 1191.85
    triethyl phosphate 789.01
    4-methyl-2-pentanol 1491.67
    propionitrile 2136.0
    vinylene carbonate 1609.59
    1,1,2-trichlorotrifluoroethane 1420.09
    DMS 1159.03
    cumene 1151.73
    2-octanol 1646.85
    2-hexanone 2033.21
    octyl acetate 1470.36
    limonene 2413.32
    1,2-dimethoxyethane 2701.77
    ethyl orthosilicate 903.67
    tributyl phosphate 864.69
    diacetone alcohol 1286.62
    N,N-dimethylaniline 1142.42
    acrylonitrile 1408.42
    aniline 1732.87
    1,3-propanediol 819.14
    bromobenzene 3430.82
    dibromomethane 4708.04
    1,1,2,2-tetrachloroethane 4057.48
    2-methyl-cyclohexyl acetate 1903.82
    tetrabutyl urea 961.9
    diisobutyl methanol 1525.74
    2-phenylethanol 1701.55
    styrene 1727.61
    dioctyl adipate 1311.16
    dimethyl sulfate 448.98
    ethyl butyrate 2379.95
    methyl lactate 442.0
    butyl lactate 1164.86
    diethyl carbonate 1300.55
    propanediol butyl ether 1089.87
    triethyl orthoformate 1691.66
    p-tert-butyltoluene 1337.41
    methyl 4-tert-butylbenzoate 1348.39
    morpholine 4005.0
    tert-butylamine 2904.09
    n-dodecanol 934.04
    dimethoxymethane 1237.26
    ethylene carbonate 1713.34
    cyrene 735.69
    2-ethoxyethyl acetate 1913.81
    2-ethylhexyl acetate 3488.83
    1,2,4-trichlorobenzene 2344.48
    4-methylpyridine 3604.49
    dibutyl ether 3231.57
    2,6-dimethyl-4-heptanol 1525.74
    DEF 1907.37
    dimethyl isosorbide 1747.49
    tetrachloroethylene 2742.53
    eugenol 960.04
    triacetin 1491.3
    span 80 1326.05
    1,4-butanediol 350.57
    1,1-dichloroethane 3630.04
    2-methyl-1-pentanol 1990.26
    methyl formate 451.11
    2-methyl-1-butanol 2585.88
    n-decane 924.06
    butyronitrile 3097.23
    3,7-dimethyl-1-octanol 1920.89
    1-chlorooctane 2171.74
    1-chlorotetradecane 798.34
    n-nonane 1113.53
    undecane 612.04
    tert-butylcyclohexane 1193.72
    cyclooctane 1479.99
    cyclopentanol 2426.8
    tetrahydropyran 6548.21
    tert-amyl methyl ether 3073.27
    2,5,8-trioxanonane 1513.09
    1-hexene 4024.74
    2-isopropoxyethanol 1087.29
    2,2,2-trifluoroethanol 260.39
    methyl butyrate 2029.67

    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