2H-Pyran, tetrahydro-2-(2-phenylethoxy)-

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  • Identifiers

    CAS number
    1927-61-3

    Molecular formula
    C13H18O2

    SMILES
    C1CCOC(C1)OCCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Green 81.45%
    Floral 72.96%
    Rose 63.92%
    Hyacinth 57.93%
    Sweet 57.33%
    Honey 41.84%
    Fresh 41.16%
    Leafy 41.07%
    Earthy 39.35%
    Herbal 36.04%

     

    Flavor
    Floral 58.25%
    Green 52.67%
    Sweet 44.35%
    Rose 43.27%
    Bitter 43.03%
    Hyacinth 36.48%
    Earthy 35.85%
    Spicy 29.12%
    Honey 29.03%
    Metallic 28.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.26 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    284°C

    Flash point

    • 122.38 ˚C est.

  • Synonyms

    • Tetrahydro-2-(2-phenylethoxy)-2H-pyran
    • 1927-61-3
    • 2H-Pyran, tetrahydro-2-(2-phenylethoxy)-
    • EINECS 217-666-5
    • 2-(2-PHENYLETHOXY)OXANE
    • DTXSID80883772
    • 2-(2-phenylethoxy)tetrahydro-2h-pyran
    • SCHEMBL6879618
    • 2-phenethoxytetrahydro-2h-pyran
    • YTSCAWRTSJUGJL-UHFFFAOYSA-N
    • DTXCID901023262
    • NS00045698
    • 217-666-5

  • Applications

    2H-Pyran, tetrahydro-2-(2-phenylethoxy)- (CAS 1927-61-3) is typically an intermediate and building block in organic synthesis, especially for accessing THP-containing motifs and THP-based carbohydrate protecting group derivatives. Practical applications include: serving as a precursor for pharmaceutical and fine chemical synthesis; acting as a precursor for fragrance-related compounds given the 2-phenylethoxy moiety; as a precursor for functionalized THP-derived monomers and additives in polymers and coatings; used in carbohydrate chemistry as a basis for THP protecting-group derivatives; and supporting R&D efforts to prepare more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 461.71
    methanol 485.66
    isopropanol 269.88
    water 0.29
    ethyl acetate 1055.89
    n-propanol 338.98
    acetone 563.29
    n-butanol 356.03
    acetonitrile 693.13
    DMF 217.26
    toluene 442.81
    isobutanol 226.42
    1,4-dioxane 1486.97
    methyl acetate 551.36
    THF 1053.07
    2-butanone 503.09
    n-pentanol 301.09
    sec-butanol 252.06
    n-hexane 100.07
    ethylene glycol 72.07
    NMP 190.84
    cyclohexane 190.92
    DMSO 931.94
    n-butyl acetate 528.68
    n-octanol 101.91
    chloroform 2980.78
    n-propyl acetate 487.22
    acetic acid 629.28
    dichloromethane 3250.84
    cyclohexanone 707.72
    propylene glycol 96.54
    isopropyl acetate 479.01
    DMAc 302.6
    2-ethoxyethanol 481.14
    isopentanol 330.14
    n-heptane 65.54
    ethyl formate 353.12
    1,2-dichloroethane 1898.33
    n-hexanol 274.14
    2-methoxyethanol 556.42
    isobutyl acetate 310.53
    tetrachloromethane 272.2
    n-pentyl acetate 224.75
    transcutol 2460.26
    n-heptanol 98.5
    ethylbenzene 182.38
    MIBK 306.37
    2-propoxyethanol 454.74
    tert-butanol 326.7
    MTBE 447.93
    2-butoxyethanol 226.49
    propionic acid 332.23
    o-xylene 211.33
    formic acid 146.96
    diethyl ether 1169.06
    m-xylene 230.24
    p-xylene 210.89
    chlorobenzene 562.79
    dimethyl carbonate 189.17
    n-octane 22.55
    formamide 207.3
    cyclopentanone 524.59
    2-pentanone 459.18
    anisole 366.96
    cyclopentyl methyl ether 511.92
    gamma-butyrolactone 689.11
    1-methoxy-2-propanol 387.68
    pyridine 1030.61
    3-pentanone 423.4
    furfural 653.51
    n-dodecane 18.54
    diethylene glycol 311.96
    diisopropyl ether 216.22
    tert-amyl alcohol 255.68
    acetylacetone 582.31
    n-hexadecane 21.73
    acetophenone 310.94
    methyl propionate 453.56
    isopentyl acetate 408.9
    trichloroethylene 2481.35
    n-nonanol 100.76
    cyclohexanol 329.33
    benzyl alcohol 251.62
    2-ethylhexanol 190.04
    isooctanol 89.31
    dipropyl ether 422.98
    1,2-dichlorobenzene 475.48
    ethyl lactate 162.15
    propylene carbonate 423.83
    n-methylformamide 166.38
    2-pentanol 241.06
    n-pentane 77.72
    1-propoxy-2-propanol 340.95
    1-methoxy-2-propyl acetate 401.79
    2-(2-methoxypropoxy) propanol 288.77
    mesitylene 145.47
    ε-caprolactone 625.31
    p-cymene 108.98
    epichlorohydrin 1217.92
    1,1,1-trichloroethane 1056.27
    2-aminoethanol 153.21
    morpholine-4-carbaldehyde 490.63
    sulfolane 596.29
    2,2,4-trimethylpentane 38.4
    2-methyltetrahydrofuran 744.34
    n-hexyl acetate 281.32
    isooctane 30.49
    2-(2-butoxyethoxy)ethanol 435.16
    sec-butyl acetate 315.8
    tert-butyl acetate 398.25
    decalin 74.03
    glycerin 144.75
    diglyme 902.18
    acrylic acid 269.57
    isopropyl myristate 128.83
    n-butyric acid 586.12
    acetyl acetate 553.01
    di(2-ethylhexyl) phthalate 111.32
    ethyl propionate 405.45
    nitromethane 849.67
    1,2-diethoxyethane 862.71
    benzonitrile 351.71
    trioctyl phosphate 72.73
    1-bromopropane 913.63
    gamma-valerolactone 703.42
    n-decanol 77.83
    triethyl phosphate 172.43
    4-methyl-2-pentanol 148.48
    propionitrile 440.26
    vinylene carbonate 422.41
    1,1,2-trichlorotrifluoroethane 598.8
    DMS 277.56
    cumene 119.88
    2-octanol 62.73
    2-hexanone 366.95
    octyl acetate 142.35
    limonene 159.58
    1,2-dimethoxyethane 847.11
    ethyl orthosilicate 167.97
    tributyl phosphate 119.0
    diacetone alcohol 287.86
    N,N-dimethylaniline 207.93
    acrylonitrile 450.98
    aniline 390.89
    1,3-propanediol 263.07
    bromobenzene 694.34
    dibromomethane 2068.2
    1,1,2,2-tetrachloroethane 1885.24
    2-methyl-cyclohexyl acetate 253.95
    tetrabutyl urea 134.72
    diisobutyl methanol 122.8
    2-phenylethanol 214.79
    styrene 274.78
    dioctyl adipate 200.45
    dimethyl sulfate 232.72
    ethyl butyrate 413.05
    methyl lactate 150.15
    butyl lactate 167.68
    diethyl carbonate 284.29
    propanediol butyl ether 185.44
    triethyl orthoformate 276.2
    p-tert-butyltoluene 99.82
    methyl 4-tert-butylbenzoate 224.59
    morpholine 1196.05
    tert-butylamine 230.32
    n-dodecanol 63.89
    dimethoxymethane 480.6
    ethylene carbonate 405.42
    cyrene 211.69
    2-ethoxyethyl acetate 376.85
    2-ethylhexyl acetate 319.75
    1,2,4-trichlorobenzene 500.9
    4-methylpyridine 676.04
    dibutyl ether 307.53
    2,6-dimethyl-4-heptanol 122.8
    DEF 462.86
    dimethyl isosorbide 426.59
    tetrachloroethylene 1256.84
    eugenol 210.43
    triacetin 345.71
    span 80 223.83
    1,4-butanediol 112.95
    1,1-dichloroethane 1302.59
    2-methyl-1-pentanol 272.64
    methyl formate 158.46
    2-methyl-1-butanol 271.58
    n-decane 31.56
    butyronitrile 479.01
    3,7-dimethyl-1-octanol 137.19
    1-chlorooctane 120.85
    1-chlorotetradecane 51.6
    n-nonane 30.17
    undecane 22.84
    tert-butylcyclohexane 57.64
    cyclooctane 61.07
    cyclopentanol 224.86
    tetrahydropyran 1225.85
    tert-amyl methyl ether 286.65
    2,5,8-trioxanonane 566.76
    1-hexene 320.58
    2-isopropoxyethanol 335.62
    2,2,2-trifluoroethanol 165.2
    methyl butyrate 497.3

    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