5-Methyl-3-butyltetrahydropyran-4-yl acetate

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  • Identifiers

    CAS number
    38285-49-3

    Molecular formula
    C12H22O3

    SMILES
    CCCCC1COCC(C1OC(=O)C)C

  • Odor profile

    Fragrance
    Floral 78.6%
    Jasmin 54.72%
    Herbal 51.96%
    Spicy 43.94%
    Sweet 40.24%
    Green 39.31%
    Fresh 37.73%
    Lactonic 33.03%
    Mint 32.44%
    Oily 31.81%

     

    Flavor
    Herbal 46.79%
    Fruity 44.82%
    Green 40.07%
    Tropical 37.05%
    Minty 36.22%
    Sweet 31.52%
    Spicy 30.69%
    Fresh 30.54%
    Fruit 30.29%
    Floral 29.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.41 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 108.83 ˚C est.

  • Synonyms

    • 38285-49-3
    • 5-Methyl-3-butyltetrahydropyran-4-yl acetate
    • TEPYL ACETATE
    • EINECS 253-863-2
    • (3-butyl-5-methyloxan-4-yl) acetate
    • 3-Butyltetrahydro-5-methyl-2H-pyran-4-yl acetate
    • 3-Butyl-5-methyl-tetrahydro-2H-pyran-4-yl acetate
    • 2H-Pyran-4-ol, 3-butyltetrahydro-5-methyl-, acetate
    • Tetrahydro-2H-pyran-4-ol, 3-butyl-5-methyl-, acetate
    • Acetic acid, 3-butyl-5-methyl-tetrahydro-2H-pyran-4-yl ester
    • 2H-Pyran-4-ol, tetrahydro-3-butyl-5-methyl-, acetate
    • Pentitol, 1,5-anhydro-2-butyl-2,4-dideoxy-4-methyl-, 3-acetate
    • 3-o-acetyl-1,5-anhydro-2-butyl-2,4-dideoxy-4-methylpentitol
    • SCHEMBL873115
    • DTXSID4052057
    • XWNKVSFNBVIKJB-UHFFFAOYSA-N
    • NS00013196
    • 253-863-2

  • Applications

    Chemical name: 5-Methyl-3-butyltetrahydropyran-4-yl acetate; CAS number: 38285-49-3 is primarily used as a protecting group for alcohols in organic synthesis (a tetrahydropyranyl ether), enabling temporary masking of the hydroxyl group and selective deprotection under acidic conditions. It also serves as an intermediate in the preparation of more complex building blocks and is encountered in pharmaceutical and agrochemical development for multi-step syntheses that require OH protection. In carbohydrate chemistry, it appears as part of THP-protected sugar derivatives. Additionally, it can function as a versatile intermediate in broader specialty chemical manufacture and in polymer-related syntheses where protected hydroxyl groups are needed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2413.45
    methanol 3121.11
    isopropanol 2139.02
    water 3.55
    ethyl acetate 1426.7
    n-propanol 1775.6
    acetone 1785.02
    n-butanol 1567.58
    acetonitrile 1220.31
    DMF 1482.58
    toluene 520.95
    isobutanol 1397.84
    1,4-dioxane 1573.14
    methyl acetate 1007.85
    THF 1891.74
    2-butanone 1169.1
    n-pentanol 865.98
    sec-butanol 1396.98
    n-hexane 50.68
    ethylene glycol 420.07
    NMP 1117.74
    cyclohexane 129.5
    DMSO 1578.04
    n-butyl acetate 880.84
    n-octanol 321.27
    chloroform 3783.84
    n-propyl acetate 594.99
    acetic acid 2197.28
    dichloromethane 2908.6
    cyclohexanone 1768.41
    propylene glycol 568.29
    isopropyl acetate 1051.59
    DMAc 1133.54
    2-ethoxyethanol 951.61
    isopentanol 1299.47
    n-heptane 25.52
    ethyl formate 1045.52
    1,2-dichloroethane 1611.2
    n-hexanol 828.74
    2-methoxyethanol 1627.55
    isobutyl acetate 468.55
    tetrachloromethane 488.85
    n-pentyl acetate 517.15
    transcutol 1913.28
    n-heptanol 305.26
    ethylbenzene 236.41
    MIBK 681.24
    2-propoxyethanol 1026.87
    tert-butanol 1838.72
    MTBE 1200.63
    2-butoxyethanol 555.4
    propionic acid 1271.74
    o-xylene 333.68
    formic acid 717.67
    diethyl ether 949.9
    m-xylene 379.75
    p-xylene 338.11
    chlorobenzene 866.42
    dimethyl carbonate 303.27
    n-octane 16.1
    formamide 584.78
    cyclopentanone 1551.81
    2-pentanone 1078.54
    anisole 448.08
    cyclopentyl methyl ether 909.45
    gamma-butyrolactone 1764.15
    1-methoxy-2-propanol 1184.18
    pyridine 1193.19
    3-pentanone 607.55
    furfural 1445.96
    n-dodecane 17.83
    diethylene glycol 783.29
    diisopropyl ether 259.04
    tert-amyl alcohol 1229.99
    acetylacetone 1075.76
    n-hexadecane 21.09
    acetophenone 478.14
    methyl propionate 749.07
    isopentyl acetate 742.85
    trichloroethylene 3013.86
    n-nonanol 258.55
    cyclohexanol 1203.18
    benzyl alcohol 527.29
    2-ethylhexanol 353.78
    isooctanol 260.22
    dipropyl ether 283.53
    1,2-dichlorobenzene 720.53
    ethyl lactate 297.02
    propylene carbonate 1148.67
    n-methylformamide 902.76
    2-pentanol 997.07
    n-pentane 60.57
    1-propoxy-2-propanol 676.16
    1-methoxy-2-propyl acetate 642.66
    2-(2-methoxypropoxy) propanol 425.75
    mesitylene 231.61
    ε-caprolactone 1530.58
    p-cymene 160.39
    epichlorohydrin 1853.68
    1,1,1-trichloroethane 1636.46
    2-aminoethanol 793.11
    morpholine-4-carbaldehyde 1233.32
    sulfolane 1638.47
    2,2,4-trimethylpentane 54.64
    2-methyltetrahydrofuran 1466.86
    n-hexyl acetate 676.04
    isooctane 41.39
    2-(2-butoxyethoxy)ethanol 598.2
    sec-butyl acetate 465.05
    tert-butyl acetate 737.85
    decalin 68.24
    glycerin 659.76
    diglyme 1090.52
    acrylic acid 958.45
    isopropyl myristate 199.16
    n-butyric acid 2173.81
    acetyl acetate 960.33
    di(2-ethylhexyl) phthalate 228.75
    ethyl propionate 468.62
    nitromethane 2030.98
    1,2-diethoxyethane 618.63
    benzonitrile 791.82
    trioctyl phosphate 164.25
    1-bromopropane 980.59
    gamma-valerolactone 1884.73
    n-decanol 174.61
    triethyl phosphate 185.93
    4-methyl-2-pentanol 469.94
    propionitrile 1044.83
    vinylene carbonate 1036.49
    1,1,2-trichlorotrifluoroethane 1359.97
    DMS 441.28
    cumene 168.93
    2-octanol 229.99
    2-hexanone 580.71
    octyl acetate 269.78
    limonene 237.5
    1,2-dimethoxyethane 1235.74
    ethyl orthosilicate 186.24
    tributyl phosphate 216.52
    diacetone alcohol 765.24
    N,N-dimethylaniline 285.66
    acrylonitrile 1108.95
    aniline 726.75
    1,3-propanediol 1143.27
    bromobenzene 912.97
    dibromomethane 1863.66
    1,1,2,2-tetrachloroethane 2524.01
    2-methyl-cyclohexyl acetate 338.5
    tetrabutyl urea 234.83
    diisobutyl methanol 205.46
    2-phenylethanol 507.74
    styrene 305.01
    dioctyl adipate 294.29
    dimethyl sulfate 461.5
    ethyl butyrate 421.39
    methyl lactate 418.81
    butyl lactate 397.86
    diethyl carbonate 275.49
    propanediol butyl ether 585.94
    triethyl orthoformate 273.11
    p-tert-butyltoluene 153.22
    methyl 4-tert-butylbenzoate 391.4
    morpholine 1804.36
    tert-butylamine 915.26
    n-dodecanol 126.88
    dimethoxymethane 788.21
    ethylene carbonate 950.52
    cyrene 403.48
    2-ethoxyethyl acetate 612.73
    2-ethylhexyl acetate 524.61
    1,2,4-trichlorobenzene 842.54
    4-methylpyridine 1362.55
    dibutyl ether 307.38
    2,6-dimethyl-4-heptanol 205.46
    DEF 1008.39
    dimethyl isosorbide 624.98
    tetrachloroethylene 1625.38
    eugenol 396.22
    triacetin 535.4
    span 80 402.84
    1,4-butanediol 512.1
    1,1-dichloroethane 2100.16
    2-methyl-1-pentanol 721.53
    methyl formate 773.1
    2-methyl-1-butanol 1171.34
    n-decane 31.17
    butyronitrile 1290.09
    3,7-dimethyl-1-octanol 322.73
    1-chlorooctane 191.3
    1-chlorotetradecane 67.89
    n-nonane 29.09
    undecane 22.16
    tert-butylcyclohexane 64.7
    cyclooctane 36.93
    cyclopentanol 1152.48
    tetrahydropyran 1626.94
    tert-amyl methyl ether 647.58
    2,5,8-trioxanonane 630.66
    1-hexene 264.73
    2-isopropoxyethanol 651.78
    2,2,2-trifluoroethanol 627.84
    methyl butyrate 717.18

    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