2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-

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  • Identifiers

    CAS number
    149713-23-5

    Molecular formula
    C12H16O

    SMILES
    C[C@H]1CCO[C@H](C1)C2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 87.52%
    Green 82.23%
    Herbal 73.28%
    Rose 64.31%
    Fresh 55.5%
    Geranium 49.87%
    Earthy 40.35%
    Leafy 39.19%
    Hyacinth 36.27%
    Mint 35.96%

     

    Flavor
    Sweet 66.38%
    Woody 44.65%
    Spicy 36.87%
    Floral 35.76%
    Green 33.12%
    Herbal 32.67%
    Bitter 31.39%
    Earthy 31.38%
    Spice 26.93%
    Warm 26.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.17 (neutral)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 90.08 ˚C est.

  • Synonyms

    • 2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
    • 149713-23-5
    • SCHEMBL8768288
    • DTXSID30888999
    • GDAVABNCFOTAOD-CMPLNLGQSA-N
    • rel-(2R,4S)-Tetrahydro-4-methyl-2-phenyl-2H-pyran
    • Doremox

  • Applications

    CAS 149713-23-5, 2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel- is an intermediate and chiral scaffold used as a starting point in pharmaceutical synthesis, providing a chiral core for active compounds; it is also considered a scaffold for broader organic synthesis and for generating complex derivatives in medicinal chemistry. In fragrance and flavor chemistry, it may be evaluated as a component or precursor to develop compounds with distinctive odor notes; in cosmetics and personal care, it can be used as a structural component related to fragrance systems; in polymer and materials technology, it may serve as a building block for monomers or functional compounds containing a tetrahydro-pyran ring, enabling specialty polymers and materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 778.34
    methanol 355.52
    isopropanol 672.89
    water 0.27
    ethyl acetate 916.0
    n-propanol 717.48
    acetone 785.77
    n-butanol 710.46
    acetonitrile 820.29
    DMF 326.23
    toluene 571.13
    isobutanol 499.51
    1,4-dioxane 1782.44
    methyl acetate 704.55
    THF 1332.58
    2-butanone 765.94
    n-pentanol 466.9
    sec-butanol 505.77
    n-hexane 180.95
    ethylene glycol 90.09
    NMP 241.94
    cyclohexane 374.0
    DMSO 664.36
    n-butyl acetate 893.17
    n-octanol 265.33
    chloroform 3297.23
    n-propyl acetate 540.35
    acetic acid 509.7
    dichloromethane 2765.2
    cyclohexanone 974.14
    propylene glycol 171.36
    isopropyl acetate 439.38
    DMAc 280.66
    2-ethoxyethanol 456.07
    isopentanol 529.08
    n-heptane 181.94
    ethyl formate 526.92
    1,2-dichloroethane 1633.67
    n-hexanol 758.37
    2-methoxyethanol 591.41
    isobutyl acetate 347.87
    tetrachloromethane 376.73
    n-pentyl acetate 320.39
    transcutol 2182.05
    n-heptanol 250.36
    ethylbenzene 277.38
    MIBK 361.88
    2-propoxyethanol 741.74
    tert-butanol 612.3
    MTBE 627.96
    2-butoxyethanol 360.49
    propionic acid 435.09
    o-xylene 273.13
    formic acid 70.33
    diethyl ether 1055.76
    m-xylene 303.66
    p-xylene 304.05
    chlorobenzene 725.75
    dimethyl carbonate 172.38
    n-octane 60.99
    formamide 115.91
    cyclopentanone 719.45
    2-pentanone 651.06
    anisole 454.61
    cyclopentyl methyl ether 601.35
    gamma-butyrolactone 768.28
    1-methoxy-2-propanol 505.16
    pyridine 1232.83
    3-pentanone 458.32
    furfural 695.09
    n-dodecane 50.05
    diethylene glycol 395.65
    diisopropyl ether 251.34
    tert-amyl alcohol 389.36
    acetylacetone 528.7
    n-hexadecane 56.75
    acetophenone 367.84
    methyl propionate 481.56
    isopentyl acetate 663.5
    trichloroethylene 2284.32
    n-nonanol 225.25
    cyclohexanol 574.72
    benzyl alcohol 330.86
    2-ethylhexanol 431.94
    isooctanol 203.12
    dipropyl ether 680.7
    1,2-dichlorobenzene 541.38
    ethyl lactate 186.31
    propylene carbonate 559.52
    n-methylformamide 214.29
    2-pentanol 446.95
    n-pentane 181.65
    1-propoxy-2-propanol 585.15
    1-methoxy-2-propyl acetate 519.8
    2-(2-methoxypropoxy) propanol 361.6
    mesitylene 191.44
    ε-caprolactone 820.72
    p-cymene 195.12
    epichlorohydrin 1182.44
    1,1,1-trichloroethane 1197.22
    2-aminoethanol 216.63
    morpholine-4-carbaldehyde 512.05
    sulfolane 599.81
    2,2,4-trimethylpentane 61.98
    2-methyltetrahydrofuran 1003.71
    n-hexyl acetate 456.54
    isooctane 61.68
    2-(2-butoxyethoxy)ethanol 539.92
    sec-butyl acetate 331.64
    tert-butyl acetate 373.51
    decalin 115.06
    glycerin 180.22
    diglyme 1047.03
    acrylic acid 297.96
    isopropyl myristate 204.29
    n-butyric acid 817.96
    acetyl acetate 448.13
    di(2-ethylhexyl) phthalate 164.21
    ethyl propionate 402.75
    nitromethane 642.14
    1,2-diethoxyethane 887.17
    benzonitrile 548.96
    trioctyl phosphate 122.91
    1-bromopropane 1071.78
    gamma-valerolactone 823.59
    n-decanol 178.32
    triethyl phosphate 183.53
    4-methyl-2-pentanol 237.06
    propionitrile 688.89
    vinylene carbonate 534.32
    1,1,2-trichlorotrifluoroethane 566.34
    DMS 321.35
    cumene 173.65
    2-octanol 164.33
    2-hexanone 501.35
    octyl acetate 237.77
    limonene 291.64
    1,2-dimethoxyethane 876.02
    ethyl orthosilicate 184.1
    tributyl phosphate 165.75
    diacetone alcohol 324.94
    N,N-dimethylaniline 245.53
    acrylonitrile 627.06
    aniline 511.22
    1,3-propanediol 356.65
    bromobenzene 862.77
    dibromomethane 2033.79
    1,1,2,2-tetrachloroethane 1782.12
    2-methyl-cyclohexyl acetate 331.04
    tetrabutyl urea 195.1
    diisobutyl methanol 234.97
    2-phenylethanol 384.6
    styrene 385.45
    dioctyl adipate 269.49
    dimethyl sulfate 175.56
    ethyl butyrate 567.23
    methyl lactate 174.91
    butyl lactate 219.51
    diethyl carbonate 371.17
    propanediol butyl ether 297.37
    triethyl orthoformate 342.28
    p-tert-butyltoluene 178.59
    methyl 4-tert-butylbenzoate 280.14
    morpholine 1529.76
    tert-butylamine 477.4
    n-dodecanol 150.19
    dimethoxymethane 442.33
    ethylene carbonate 509.36
    cyrene 229.1
    2-ethoxyethyl acetate 437.87
    2-ethylhexyl acetate 509.48
    1,2,4-trichlorobenzene 563.17
    4-methylpyridine 897.31
    dibutyl ether 487.31
    2,6-dimethyl-4-heptanol 234.97
    DEF 476.31
    dimethyl isosorbide 498.2
    tetrachloroethylene 1090.1
    eugenol 261.25
    triacetin 380.03
    span 80 316.06
    1,4-butanediol 155.55
    1,1-dichloroethane 1538.51
    2-methyl-1-pentanol 372.76
    methyl formate 209.48
    2-methyl-1-butanol 442.74
    n-decane 83.17
    butyronitrile 911.87
    3,7-dimethyl-1-octanol 268.97
    1-chlorooctane 261.27
    1-chlorotetradecane 112.21
    n-nonane 88.5
    undecane 61.85
    tert-butylcyclohexane 95.69
    cyclooctane 123.48
    cyclopentanol 419.97
    tetrahydropyran 1739.54
    tert-amyl methyl ether 347.41
    2,5,8-trioxanonane 636.81
    1-hexene 561.67
    2-isopropoxyethanol 336.69
    2,2,2-trifluoroethanol 128.22
    methyl butyrate 566.39

    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