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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68039-41-8

    Molecular formula
    C13H16O

    SMILES
    CC1C=C(CC(O1)C2=CC=CC=C2)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 88.59%
    Green 87.21%
    Herbal 69.09%
    Geranium 51.05%
    Rose 49.07%
    Leafy 45.46%
    Fresh 44.86%
    Cortex 43.19%
    Earthy 37.41%
    Hyacinth 34.35%

     

    Flavor
    Floral 48.99%
    Sweet 48.09%
    Woody 43.82%
    Green 42.48%
    Herbal 40.02%
    Spicy 37.6%
    Bitter 35.78%
    Spice 33.95%
    Mint 29.78%
    Minty 27.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.72 (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

    • 96.84 ˚C est.

  • Synonyms

    • 2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
    • 2,4-Dimethyl-6-phenyl-1-oxacyclohex-3-ene
    • EINECS 268-257-3
    • 3,6-Dihydro-4,6-dimethyl-2-phenyl-2H-pyran
    • DTXSID50867448
    • 5,6-Dihydro-2,4-dimethyl-6-phenyl-2H-pyran
    • RefChem:90134
    • DTXCID80815634
    • 268-257-3
    • 4,6-dimethyl-2-phenyl-3,6-dihydro-2H-pyran
    • 68039-41-8
    • geranium pyran
    • SCHEMBL3228648
    • SQVJYNSGAXORSQ-UHFFFAOYSA-N
    • AKOS006274680
    • 2,4-DIMETHYL-6-PHENYL-DIHYDROPYRAN
    • NS00012974
    • 68039-41-8

  • Applications

    The compound 2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl- (CAS 68039-41-8) is primarily used as an intermediate in organic synthesis, providing a versatile building block for constructing more complex heterocycles and substituted aromatic systems. In industry, it may serve as a fragrance/odorant precursor for perfumery and cosmetics; as a pharmaceutical intermediate for small-molecule drug development; and as a scaffold in materials science and polymer chemistry to enable the design of specialty polymers or functionalized cyclic structures. It is also explored in R&D and process development settings, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.99
    methanol 189.47
    isopropanol 196.92
    water 0.45
    ethyl acetate 346.21
    n-propanol 245.51
    acetone 288.45
    n-butanol 285.21
    acetonitrile 286.08
    DMF 194.73
    toluene 419.79
    isobutanol 185.42
    1,4-dioxane 929.43
    methyl acetate 292.75
    THF 703.55
    2-butanone 306.48
    n-pentanol 222.07
    sec-butanol 202.34
    n-hexane 162.97
    ethylene glycol 55.42
    NMP 222.63
    cyclohexane 294.97
    DMSO 282.57
    n-butyl acetate 341.86
    n-octanol 181.81
    chloroform 1611.65
    n-propyl acetate 198.68
    acetic acid 206.14
    dichloromethane 1195.44
    cyclohexanone 443.17
    propylene glycol 90.44
    isopropyl acetate 193.7
    DMAc 260.92
    2-ethoxyethanol 220.16
    isopentanol 238.7
    n-heptane 134.45
    ethyl formate 174.48
    1,2-dichloroethane 616.23
    n-hexanol 382.4
    2-methoxyethanol 246.25
    isobutyl acetate 161.6
    tetrachloromethane 205.55
    n-pentyl acetate 175.67
    transcutol 1166.44
    n-heptanol 156.46
    ethylbenzene 178.29
    MIBK 176.18
    2-propoxyethanol 387.74
    tert-butanol 248.29
    MTBE 298.78
    2-butoxyethanol 214.74
    propionic acid 173.91
    o-xylene 206.24
    formic acid 42.24
    diethyl ether 535.64
    m-xylene 222.62
    p-xylene 194.86
    chlorobenzene 389.45
    dimethyl carbonate 104.43
    n-octane 46.32
    formamide 58.3
    cyclopentanone 370.41
    2-pentanone 264.92
    anisole 274.78
    cyclopentyl methyl ether 404.32
    gamma-butyrolactone 385.56
    1-methoxy-2-propanol 230.12
    pyridine 541.26
    3-pentanone 271.18
    furfural 325.47
    n-dodecane 38.65
    diethylene glycol 221.56
    diisopropyl ether 146.68
    tert-amyl alcohol 193.6
    acetylacetone 234.4
    n-hexadecane 43.55
    acetophenone 221.49
    methyl propionate 228.71
    isopentyl acetate 274.9
    trichloroethylene 961.06
    n-nonanol 165.22
    cyclohexanol 308.63
    benzyl alcohol 202.04
    2-ethylhexanol 241.49
    isooctanol 129.66
    dipropyl ether 346.64
    1,2-dichlorobenzene 299.93
    ethyl lactate 104.9
    propylene carbonate 257.98
    n-methylformamide 89.69
    2-pentanol 194.53
    n-pentane 139.21
    1-propoxy-2-propanol 284.79
    1-methoxy-2-propyl acetate 271.72
    2-(2-methoxypropoxy) propanol 257.43
    mesitylene 136.86
    ε-caprolactone 382.29
    p-cymene 128.86
    epichlorohydrin 525.56
    1,1,1-trichloroethane 547.13
    2-aminoethanol 112.95
    morpholine-4-carbaldehyde 326.44
    sulfolane 347.78
    2,2,4-trimethylpentane 49.87
    2-methyltetrahydrofuran 563.42
    n-hexyl acetate 290.08
    isooctane 40.48
    2-(2-butoxyethoxy)ethanol 365.26
    sec-butyl acetate 156.76
    tert-butyl acetate 185.52
    decalin 93.87
    glycerin 108.54
    diglyme 599.45
    acrylic acid 136.86
    isopropyl myristate 137.73
    n-butyric acid 275.11
    acetyl acetate 209.23
    di(2-ethylhexyl) phthalate 125.39
    ethyl propionate 179.26
    nitromethane 237.21
    1,2-diethoxyethane 469.8
    benzonitrile 264.0
    trioctyl phosphate 87.87
    1-bromopropane 484.99
    gamma-valerolactone 391.98
    n-decanol 132.75
    triethyl phosphate 119.51
    4-methyl-2-pentanol 123.61
    propionitrile 242.0
    vinylene carbonate 255.14
    1,1,2-trichlorotrifluoroethane 311.98
    DMS 216.03
    cumene 119.73
    2-octanol 104.72
    2-hexanone 212.76
    octyl acetate 166.21
    limonene 193.36
    1,2-dimethoxyethane 407.19
    ethyl orthosilicate 123.46
    tributyl phosphate 114.18
    diacetone alcohol 177.8
    N,N-dimethylaniline 185.97
    acrylonitrile 216.2
    aniline 308.44
    1,3-propanediol 144.91
    bromobenzene 471.45
    dibromomethane 854.1
    1,1,2,2-tetrachloroethane 836.35
    2-methyl-cyclohexyl acetate 197.89
    tetrabutyl urea 137.76
    diisobutyl methanol 128.34
    2-phenylethanol 230.87
    styrene 227.27
    dioctyl adipate 175.96
    dimethyl sulfate 121.56
    ethyl butyrate 231.76
    methyl lactate 100.89
    butyl lactate 130.6
    diethyl carbonate 162.8
    propanediol butyl ether 200.67
    triethyl orthoformate 170.6
    p-tert-butyltoluene 121.28
    methyl 4-tert-butylbenzoate 199.24
    morpholine 705.66
    tert-butylamine 201.66
    n-dodecanol 110.21
    dimethoxymethane 240.45
    ethylene carbonate 229.21
    cyrene 183.82
    2-ethoxyethyl acetate 247.73
    2-ethylhexyl acetate 243.93
    1,2,4-trichlorobenzene 340.15
    4-methylpyridine 450.77
    dibutyl ether 281.97
    2,6-dimethyl-4-heptanol 128.34
    DEF 253.6
    dimethyl isosorbide 340.13
    tetrachloroethylene 517.4
    eugenol 191.54
    triacetin 269.88
    span 80 219.8
    1,4-butanediol 79.82
    1,1-dichloroethane 576.55
    2-methyl-1-pentanol 204.69
    methyl formate 86.91
    2-methyl-1-butanol 225.63
    n-decane 62.05
    butyronitrile 287.07
    3,7-dimethyl-1-octanol 176.71
    1-chlorooctane 178.22
    1-chlorotetradecane 81.37
    n-nonane 65.91
    undecane 46.33
    tert-butylcyclohexane 78.6
    cyclooctane 109.08
    cyclopentanol 215.23
    tetrahydropyran 892.7
    tert-amyl methyl ether 221.95
    2,5,8-trioxanonane 424.85
    1-hexene 320.01
    2-isopropoxyethanol 181.01
    2,2,2-trifluoroethanol 68.87
    methyl butyrate 208.96

    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