2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68039-40-7

    Molecular formula
    C13H16O

    SMILES
    CC1CC(=CC(O1)C2=CC=CC=C2)C

  • Odor profile

    Fragrance
    Floral 85.18%
    Green 81.53%
    Herbal 67.02%
    Geranium 48.73%
    Rose 45.11%
    Leafy 42.39%
    Cortex 40.9%
    Fresh 39.7%
    Earthy 35.39%
    Spicy 33.94%

     

    Flavor
    Sweet 52.17%
    Floral 49.66%
    Woody 43.57%
    Herbal 40.53%
    Green 40.2%
    Spicy 38.21%
    Bitter 37.33%
    Spice 34.28%
    Mint 29.99%
    Fresh 27.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.84 (neutral)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    265°C

    Flash point

    • 96.14 ˚C est.

  • Synonyms

    • 3,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran
    • 68039-40-7
    • 2,4-dimethyl-6-phenyl-3,6-dihydro-2H-pyran
    • EINECS 268-256-8
    • 4,6-Dimethyl-2-phenyl-1-oxacyclohex-3-ene
    • 2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
    • 5,6-Dihydro-4,6-dimethyl-2-phenyl-2H-pyran
    • DTXSID90867447
    • SCHEMBL1472469
    • DTXCID20815633
    • KJAJQPSBQHSPCZ-UHFFFAOYSA-N
    • NS00012973
    • 3-METHYL-1-PHENYL-2-HEXENE 1,5-EPOXIDE
    • 2H-PYRAN,3,6-DIHYDRO-4,6-DIMETHYL-2-PHENYL-
    • 268-256-8

  • Applications

    2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl- is primarily used as a chemical building block and intermediate in fragrance and flavor chemistry, where it can contribute to aroma profiles or serve as a scaffold for further functionalization and synthesis of more complex heterocycles. It is often evaluated for use in cosmetic and personal care formulations as a fragrance ingredient or odor cue. In industrial manufacturing, it may function as a precursor in the synthesis of specialty polymers, coatings, and inks. It can also serve as a synthetic intermediate in pharmaceutical research for exploring heterocyclic architectures. Additionally, it may appear in cleaning and household product formulations as a fragrance component or scent modifier, subject to formulation limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 244.15
    methanol 171.71
    isopropanol 197.82
    water 0.36
    ethyl acetate 312.56
    n-propanol 239.08
    acetone 292.66
    n-butanol 281.03
    acetonitrile 248.12
    DMF 197.2
    toluene 368.46
    isobutanol 186.89
    1,4-dioxane 829.7
    methyl acetate 271.85
    THF 680.04
    2-butanone 310.56
    n-pentanol 219.56
    sec-butanol 203.38
    n-hexane 152.97
    ethylene glycol 57.36
    NMP 219.56
    cyclohexane 270.7
    DMSO 295.5
    n-butyl acetate 339.61
    n-octanol 190.07
    chloroform 1517.34
    n-propyl acetate 190.21
    acetic acid 205.51
    dichloromethane 1103.56
    cyclohexanone 429.68
    propylene glycol 99.21
    isopropyl acetate 179.9
    DMAc 260.01
    2-ethoxyethanol 214.24
    isopentanol 238.77
    n-heptane 131.46
    ethyl formate 165.84
    1,2-dichloroethane 571.88
    n-hexanol 391.96
    2-methoxyethanol 244.59
    isobutyl acetate 158.28
    tetrachloromethane 183.21
    n-pentyl acetate 171.5
    transcutol 1129.82
    n-heptanol 159.98
    ethylbenzene 172.86
    MIBK 171.97
    2-propoxyethanol 382.13
    tert-butanol 254.32
    MTBE 284.13
    2-butoxyethanol 216.44
    propionic acid 169.15
    o-xylene 192.2
    formic acid 37.89
    diethyl ether 460.98
    m-xylene 208.67
    p-xylene 192.53
    chlorobenzene 358.12
    dimethyl carbonate 99.57
    n-octane 47.07
    formamide 52.89
    cyclopentanone 364.63
    2-pentanone 260.01
    anisole 262.13
    cyclopentyl methyl ether 370.41
    gamma-butyrolactone 366.39
    1-methoxy-2-propanol 230.9
    pyridine 498.16
    3-pentanone 251.46
    furfural 316.93
    n-dodecane 39.93
    diethylene glycol 225.89
    diisopropyl ether 135.53
    tert-amyl alcohol 199.97
    acetylacetone 229.3
    n-hexadecane 44.93
    acetophenone 217.7
    methyl propionate 213.11
    isopentyl acetate 277.19
    trichloroethylene 924.27
    n-nonanol 171.1
    cyclohexanol 298.09
    benzyl alcohol 199.63
    2-ethylhexanol 247.92
    isooctanol 132.16
    dipropyl ether 322.79
    1,2-dichlorobenzene 283.9
    ethyl lactate 108.38
    propylene carbonate 252.32
    n-methylformamide 84.24
    2-pentanol 194.31
    n-pentane 127.06
    1-propoxy-2-propanol 289.81
    1-methoxy-2-propyl acetate 267.55
    2-(2-methoxypropoxy) propanol 265.08
    mesitylene 129.73
    ε-caprolactone 368.89
    p-cymene 130.25
    epichlorohydrin 506.72
    1,1,1-trichloroethane 517.93
    2-aminoethanol 113.77
    morpholine-4-carbaldehyde 308.76
    sulfolane 342.59
    2,2,4-trimethylpentane 49.32
    2-methyltetrahydrofuran 534.55
    n-hexyl acetate 290.08
    isooctane 40.1
    2-(2-butoxyethoxy)ethanol 370.78
    sec-butyl acetate 153.78
    tert-butyl acetate 179.55
    decalin 90.96
    glycerin 116.54
    diglyme 590.78
    acrylic acid 135.52
    isopropyl myristate 140.08
    n-butyric acid 268.3
    acetyl acetate 195.42
    di(2-ethylhexyl) phthalate 131.59
    ethyl propionate 170.26
    nitromethane 222.81
    1,2-diethoxyethane 436.26
    benzonitrile 261.3
    trioctyl phosphate 92.59
    1-bromopropane 446.22
    gamma-valerolactone 376.13
    n-decanol 138.56
    triethyl phosphate 116.88
    4-methyl-2-pentanol 125.79
    propionitrile 219.31
    vinylene carbonate 241.69
    1,1,2-trichlorotrifluoroethane 311.38
    DMS 211.56
    cumene 118.92
    2-octanol 108.34
    2-hexanone 217.21
    octyl acetate 171.19
    limonene 191.9
    1,2-dimethoxyethane 398.16
    ethyl orthosilicate 119.25
    tributyl phosphate 118.85
    diacetone alcohol 181.35
    N,N-dimethylaniline 181.21
    acrylonitrile 197.22
    aniline 284.45
    1,3-propanediol 144.34
    bromobenzene 428.72
    dibromomethane 800.2
    1,1,2,2-tetrachloroethane 809.37
    2-methyl-cyclohexyl acetate 198.07
    tetrabutyl urea 144.03
    diisobutyl methanol 129.88
    2-phenylethanol 235.48
    styrene 217.47
    dioctyl adipate 183.83
    dimethyl sulfate 118.43
    ethyl butyrate 227.53
    methyl lactate 103.56
    butyl lactate 136.43
    diethyl carbonate 158.65
    propanediol butyl ether 219.76
    triethyl orthoformate 166.09
    p-tert-butyltoluene 122.33
    methyl 4-tert-butylbenzoate 200.51
    morpholine 659.47
    tert-butylamine 201.85
    n-dodecanol 117.36
    dimethoxymethane 227.43
    ethylene carbonate 216.55
    cyrene 188.2
    2-ethoxyethyl acetate 240.45
    2-ethylhexyl acetate 239.91
    1,2,4-trichlorobenzene 323.89
    4-methylpyridine 420.19
    dibutyl ether 275.1
    2,6-dimethyl-4-heptanol 129.88
    DEF 236.13
    dimethyl isosorbide 343.02
    tetrachloroethylene 485.66
    eugenol 193.63
    triacetin 272.42
    span 80 231.19
    1,4-butanediol 81.71
    1,1-dichloroethane 546.58
    2-methyl-1-pentanol 204.08
    methyl formate 83.89
    2-methyl-1-butanol 224.02
    n-decane 64.17
    butyronitrile 277.07
    3,7-dimethyl-1-octanol 185.11
    1-chlorooctane 183.75
    1-chlorotetradecane 83.38
    n-nonane 68.92
    undecane 47.98
    tert-butylcyclohexane 76.29
    cyclooctane 101.79
    cyclopentanol 211.41
    tetrahydropyran 808.46
    tert-amyl methyl ether 213.28
    2,5,8-trioxanonane 425.16
    1-hexene 303.49
    2-isopropoxyethanol 179.15
    2,2,2-trifluoroethanol 65.86
    methyl butyrate 201.81

    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