Tetrahydro-2H-pyran-2-ol

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  • Identifiers

    CAS number
    694-54-2

    Molecular formula
    C5H10O2

    SMILES
    C1CCOC(C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 56.1%
    Ethereal 49.76%
    Sweet 48.05%
    Green 40.98%
    Alcoholic 35.11%
    Fermented 34.66%
    Solvent 30.16%
    Musty 28.04%
    Woody 27.33%
    Oily 27.0%

     

    Flavor
    Sweet 45.05%
    Caramel 36.35%
    Bitter 36.11%
    Oily 31.7%
    Warm 29.29%
    Cauliflower 26.98%
    Vegetable 25.54%
    Fatty 24.43%
    Alkaline 23.63%
    Coconut 22.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.23 (weak base)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    166°C

    Flash point

    • 63.55 ˚C est.

  • Synonyms

    • 2-Hydroxytetrahydropyran
    • 694-54-2
    • Tetrahydro-2H-pyran-2-ol
    • oxan-2-ol
    • 2H-Pyran-2-ol, tetrahydro-
    • 2-Tetrahydropyranol
    • tetrahydropyran-2-ol
    • Tetrahydro-2-hydroxy-2H-pyran
    • 2-hydroxytetrahydro-2h-pyran
    • Tetrahydro-2-pyranol
    • Pyran-2-ol, tetrahydro-
    • G2QS543EC2
    • Tetrahydro-2H-pyran-2-ol, >90%
    • MFCD02683093
    • NSC-244915
    • tetrahydropyranyl alcohol
    • tetrahyropyranol
    • d-Valerolactol
    • tetrahydropyranol
    • .delta.-Valerolactol
    • tetrahydro-2H-pyran-ol
    • 2-hydroxy-tetrahydropyran
    • UNII-G2QS543EC2
    • SCHEMBL54593
    • ghl.PD_Mitscher_leg0.159
    • DTXSID80972014
    • AAA69454
    • NSC244915
    • AKOS015856489
    • NSC 244915
    • AS-10600
    • SY009592
    • DB-006164
    • CS-0015921
    • NS00055265
    • F19855
    • EN300-7007041
    • 869-776-3

  • Applications

    Tetrahydro-2H-pyran-2-ol (CAS 694-54-2) serves as a chemical intermediate in pharmaceutical, agrochemical, and other fine-chemical syntheses; it is used as a solvent or co-solvent in specialty formulations such as coatings, inks, cosmetics and household products; it may function as a fragrance/odorant component or fragrance solvent in perfumery; it provides a building block for the synthesis of cyclic ethers and related heterocycles; and it can be a precursor in polymer chemistry for derivative materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1545.88
    methanol 2226.05
    isopropanol 700.17
    water 86.03
    ethyl acetate 331.23
    n-propanol 767.55
    acetone 494.7
    n-butanol 598.09
    acetonitrile 450.46
    DMF 640.42
    toluene 45.16
    isobutanol 380.71
    1,4-dioxane 509.5
    methyl acetate 241.91
    THF 765.04
    2-butanone 255.21
    n-pentanol 335.31
    sec-butanol 380.5
    n-hexane 16.03
    ethylene glycol 353.11
    NMP 404.99
    cyclohexane 20.09
    DMSO 842.43
    n-butyl acetate 184.56
    n-octanol 91.73
    chloroform 616.07
    n-propyl acetate 141.47
    acetic acid 1605.66
    dichloromethane 523.04
    cyclohexanone 304.8
    propylene glycol 305.04
    isopropyl acetate 139.5
    DMAc 287.76
    2-ethoxyethanol 457.17
    isopentanol 336.24
    n-heptane 17.02
    ethyl formate 318.58
    1,2-dichloroethane 225.81
    n-hexanol 243.36
    2-methoxyethanol 941.23
    isobutyl acetate 70.63
    tetrachloromethane 88.02
    n-pentyl acetate 116.24
    transcutol 1029.21
    n-heptanol 110.46
    ethylbenzene 15.66
    MIBK 109.62
    2-propoxyethanol 406.37
    tert-butanol 463.93
    MTBE 151.14
    2-butoxyethanol 224.66
    propionic acid 629.03
    o-xylene 33.79
    formic acid 1082.74
    diethyl ether 254.19
    m-xylene 37.31
    p-xylene 26.9
    chlorobenzene 103.12
    dimethyl carbonate 55.79
    n-octane 6.63
    formamide 912.52
    cyclopentanone 448.51
    2-pentanone 242.87
    anisole 70.81
    cyclopentyl methyl ether 225.15
    gamma-butyrolactone 604.39
    1-methoxy-2-propanol 487.93
    pyridine 323.73
    3-pentanone 119.64
    furfural 466.91
    n-dodecane 5.22
    diethylene glycol 439.97
    diisopropyl ether 46.19
    tert-amyl alcohol 276.24
    acetylacetone 207.21
    n-hexadecane 5.52
    acetophenone 67.62
    methyl propionate 189.42
    isopentyl acetate 111.44
    trichloroethylene 420.38
    n-nonanol 75.72
    cyclohexanol 251.67
    benzyl alcohol 113.63
    2-ethylhexanol 98.26
    isooctanol 79.74
    dipropyl ether 98.7
    1,2-dichlorobenzene 75.17
    ethyl lactate 71.86
    propylene carbonate 248.28
    n-methylformamide 657.46
    2-pentanol 255.51
    n-pentane 22.8
    1-propoxy-2-propanol 253.22
    1-methoxy-2-propyl acetate 137.25
    2-(2-methoxypropoxy) propanol 153.5
    mesitylene 25.21
    ε-caprolactone 289.77
    p-cymene 21.33
    epichlorohydrin 428.53
    1,1,1-trichloroethane 168.63
    2-aminoethanol 687.72
    morpholine-4-carbaldehyde 436.2
    sulfolane 423.03
    2,2,4-trimethylpentane 10.05
    2-methyltetrahydrofuran 401.95
    n-hexyl acetate 127.06
    isooctane 9.02
    2-(2-butoxyethoxy)ethanol 267.42
    sec-butyl acetate 69.28
    tert-butyl acetate 108.73
    decalin 7.64
    glycerin 416.19
    diglyme 397.03
    acrylic acid 534.41
    isopropyl myristate 39.82
    n-butyric acid 789.14
    acetyl acetate 164.16
    di(2-ethylhexyl) phthalate 49.34
    ethyl propionate 89.07
    nitromethane 1143.26
    1,2-diethoxyethane 231.89
    benzonitrile 151.35
    trioctyl phosphate 37.46
    1-bromopropane 130.6
    gamma-valerolactone 508.16
    n-decanol 53.2
    triethyl phosphate 39.18
    4-methyl-2-pentanol 111.95
    propionitrile 301.29
    vinylene carbonate 231.28
    1,1,2-trichlorotrifluoroethane 377.86
    DMS 70.37
    cumene 15.54
    2-octanol 64.77
    2-hexanone 130.67
    octyl acetate 57.73
    limonene 35.01
    1,2-dimethoxyethane 381.87
    ethyl orthosilicate 40.92
    tributyl phosphate 49.55
    diacetone alcohol 174.68
    N,N-dimethylaniline 46.26
    acrylonitrile 361.59
    aniline 180.75
    1,3-propanediol 731.98
    bromobenzene 74.06
    dibromomethane 289.02
    1,1,2,2-tetrachloroethane 293.28
    2-methyl-cyclohexyl acetate 62.18
    tetrabutyl urea 57.47
    diisobutyl methanol 51.76
    2-phenylethanol 110.77
    styrene 25.26
    dioctyl adipate 63.56
    dimethyl sulfate 88.3
    ethyl butyrate 107.37
    methyl lactate 118.56
    butyl lactate 100.36
    diethyl carbonate 54.71
    propanediol butyl ether 207.87
    triethyl orthoformate 67.52
    p-tert-butyltoluene 21.18
    methyl 4-tert-butylbenzoate 77.45
    morpholine 663.34
    tert-butylamine 236.88
    n-dodecanol 38.7
    dimethoxymethane 299.23
    ethylene carbonate 197.09
    cyrene 111.15
    2-ethoxyethyl acetate 148.67
    2-ethylhexyl acetate 77.65
    1,2,4-trichlorobenzene 93.85
    4-methylpyridine 232.27
    dibutyl ether 81.99
    2,6-dimethyl-4-heptanol 51.76
    DEF 249.3
    dimethyl isosorbide 185.41
    tetrachloroethylene 253.28
    eugenol 99.01
    triacetin 112.45
    span 80 144.85
    1,4-butanediol 272.98
    1,1-dichloroethane 238.88
    2-methyl-1-pentanol 193.39
    methyl formate 334.23
    2-methyl-1-butanol 297.75
    n-decane 9.04
    butyronitrile 344.32
    3,7-dimethyl-1-octanol 81.18
    1-chlorooctane 34.82
    1-chlorotetradecane 13.36
    n-nonane 8.7
    undecane 6.51
    tert-butylcyclohexane 8.38
    cyclooctane 7.5
    cyclopentanol 373.75
    tetrahydropyran 390.95
    tert-amyl methyl ether 100.89
    2,5,8-trioxanonane 278.63
    1-hexene 59.13
    2-isopropoxyethanol 232.59
    2,2,2-trifluoroethanol 407.2
    methyl butyrate 148.54

    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