4-Acetoxy-3-pentyltetrahydropyran

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  • Identifiers

    CAS number
    18871-14-2

    Molecular formula
    C12H22O3

    SMILES
    CCCCCC1COCCC1OC(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 89.67%
    Green 68.13%
    Jasmin 66.03%
    Sweet 65.27%
    Herbal 59.95%
    Fresh 53.48%
    Fruity 47.12%
    Oily 46.63%
    Lactonic 35.16%
    Waxy 33.96%

     

    Flavor
    Fruity 48.71%
    Green 48.32%
    Herbal 41.51%
    Tropical 39.91%
    Oily 39.67%
    Waxy 39.58%
    Fresh 39.11%
    Sweet 38.61%
    Floral 35.47%
    Fruit 34.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.52 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 114.39 ˚C est.

  • Synonyms

    • 18871-14-2
    • Jasmopyrane
    • Jasmal
    • Tetrahydro-3-pentyl-2H-pyran-4-yl acetate
    • (3-pentyloxan-4-yl) acetate
    • Jasmophyll
    • Pentitol, 1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate
    • 3-Amyl-4-acetoxytetrahydropyran
    • 4-Acetoxy-3-pentyltetrahydropyran
    • EINECS 242-640-5
    • 2H-Pyran-4-ol, tetrahydro-3-pentyl-, acetate
    • Tetrahydro-3-pentyl-2H-pyran-4-ol acetate
    • 3-o-acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol
    • DTXSID7044556
    • UNII-30E3255185
    • 30E3255185
    • JASMOPYRANE FORTE
    • 3-Pentyl-4-acetyl-oxytetrahydro-2H-pyran
    • SCHEMBL113240
    • DTXCID5024556
    • 3-pentyltetrahydropyran-4-yl acetate
    • AKOS015914513
    • 3-pentyltetrahydro-2H-pyran-4-yl acetate
    • NS00012778
    • 4-Pregnen-6-beta,17,21-triol-3,11,20-trione
    • 3,4,5,6-tetrahydro-3-pentyl-2h-pyran-4-yl acetate
    • Pentitol,1,5-anhydro-2,4-dideoxy-2-pentyl-,3-acetate
    • Jessemal Jasmonyl

  • Applications

    4-Acetoxy-3-pentyltetrahydropyran (CAS 18871-14-2) is primarily used as an organic intermediate and protecting group in multi-step syntheses. In practice it provides a carbohydrate- or polyol-derived THP scaffold and serves as a chiral building block for the preparation of more complex pharmaceutical and agrochemical intermediates. The acetoxy-tetrahydropyran motif can be selectively installed and subsequently deprotected under standard conditions, enabling sequential functionalization in fine chemical workflows. Depending on the target synthesis, it may also act as a precursor to THP-derived derivatives used in specialty materials or coatings formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2273.63
    methanol 3135.55
    isopropanol 1683.92
    water 1.23
    ethyl acetate 1456.53
    n-propanol 1542.02
    acetone 2354.77
    n-butanol 1333.36
    acetonitrile 1471.47
    DMF 1721.36
    toluene 520.79
    isobutanol 1087.18
    1,4-dioxane 1571.0
    methyl acetate 1026.49
    THF 1931.24
    2-butanone 1333.4
    n-pentanol 796.6
    sec-butanol 1087.76
    n-hexane 60.06
    ethylene glycol 370.73
    NMP 1364.33
    cyclohexane 136.62
    DMSO 2858.61
    n-butyl acetate 814.02
    n-octanol 220.03
    chloroform 4049.46
    n-propyl acetate 682.78
    acetic acid 2005.21
    dichloromethane 3443.86
    cyclohexanone 1932.99
    propylene glycol 541.74
    isopropyl acetate 931.47
    DMAc 1214.27
    2-ethoxyethanol 925.93
    isopentanol 1056.8
    n-heptane 23.26
    ethyl formate 878.55
    1,2-dichloroethane 1963.68
    n-hexanol 644.56
    2-methoxyethanol 1625.21
    isobutyl acetate 462.68
    tetrachloromethane 437.92
    n-pentyl acetate 438.17
    transcutol 2968.69
    n-heptanol 201.32
    ethylbenzene 224.72
    MIBK 668.1
    2-propoxyethanol 923.71
    tert-butanol 1530.68
    MTBE 973.39
    2-butoxyethanol 446.2
    propionic acid 1258.32
    o-xylene 318.91
    formic acid 652.71
    diethyl ether 1033.64
    m-xylene 359.64
    p-xylene 298.47
    chlorobenzene 911.04
    dimethyl carbonate 312.96
    n-octane 11.14
    formamide 702.83
    cyclopentanone 1747.14
    2-pentanone 1157.62
    anisole 461.34
    cyclopentyl methyl ether 972.55
    gamma-butyrolactone 1989.66
    1-methoxy-2-propanol 1191.95
    pyridine 1383.94
    3-pentanone 691.86
    furfural 1585.52
    n-dodecane 10.99
    diethylene glycol 731.08
    diisopropyl ether 239.13
    tert-amyl alcohol 972.77
    acetylacetone 1186.41
    n-hexadecane 13.29
    acetophenone 487.79
    methyl propionate 844.77
    isopentyl acetate 698.1
    trichloroethylene 3526.96
    n-nonanol 183.61
    cyclohexanol 1127.1
    benzyl alcohol 526.36
    2-ethylhexanol 302.1
    isooctanol 181.35
    dipropyl ether 294.34
    1,2-dichlorobenzene 780.21
    ethyl lactate 295.86
    propylene carbonate 1100.81
    n-methylformamide 1022.37
    2-pentanol 771.61
    n-pentane 58.86
    1-propoxy-2-propanol 664.98
    1-methoxy-2-propyl acetate 675.88
    2-(2-methoxypropoxy) propanol 468.7
    mesitylene 213.85
    ε-caprolactone 1560.95
    p-cymene 138.55
    epichlorohydrin 2081.9
    1,1,1-trichloroethane 1684.63
    2-aminoethanol 789.61
    morpholine-4-carbaldehyde 1291.84
    sulfolane 2093.51
    2,2,4-trimethylpentane 39.71
    2-methyltetrahydrofuran 1463.27
    n-hexyl acetate 591.36
    isooctane 30.83
    2-(2-butoxyethoxy)ethanol 686.46
    sec-butyl acetate 467.87
    tert-butyl acetate 745.17
    decalin 60.1
    glycerin 649.79
    diglyme 1205.85
    acrylic acid 985.39
    isopropyl myristate 180.35
    n-butyric acid 1863.29
    acetyl acetate 939.98
    di(2-ethylhexyl) phthalate 211.16
    ethyl propionate 524.79
    nitromethane 2316.97
    1,2-diethoxyethane 759.65
    benzonitrile 790.81
    trioctyl phosphate 142.24
    1-bromopropane 1080.68
    gamma-valerolactone 2045.8
    n-decanol 127.42
    triethyl phosphate 196.22
    4-methyl-2-pentanol 363.46
    propionitrile 1052.39
    vinylene carbonate 1021.27
    1,1,2-trichlorotrifluoroethane 1563.45
    DMS 465.92
    cumene 154.14
    2-octanol 146.42
    2-hexanone 645.56
    octyl acetate 237.38
    limonene 218.16
    1,2-dimethoxyethane 1261.86
    ethyl orthosilicate 190.41
    tributyl phosphate 205.05
    diacetone alcohol 780.57
    N,N-dimethylaniline 282.71
    acrylonitrile 1154.46
    aniline 790.66
    1,3-propanediol 1071.48
    bromobenzene 979.49
    dibromomethane 2234.04
    1,1,2,2-tetrachloroethane 2880.54
    2-methyl-cyclohexyl acetate 342.22
    tetrabutyl urea 241.83
    diisobutyl methanol 167.62
    2-phenylethanol 463.24
    styrene 300.45
    dioctyl adipate 297.93
    dimethyl sulfate 532.97
    ethyl butyrate 448.17
    methyl lactate 436.64
    butyl lactate 381.45
    diethyl carbonate 296.36
    propanediol butyl ether 534.01
    triethyl orthoformate 284.85
    p-tert-butyltoluene 131.25
    methyl 4-tert-butylbenzoate 374.25
    morpholine 1968.64
    tert-butylamine 789.4
    n-dodecanol 93.41
    dimethoxymethane 848.05
    ethylene carbonate 897.7
    cyrene 403.41
    2-ethoxyethyl acetate 630.71
    2-ethylhexyl acetate 483.86
    1,2,4-trichlorobenzene 895.57
    4-methylpyridine 1373.44
    dibutyl ether 299.45
    2,6-dimethyl-4-heptanol 167.62
    DEF 1078.12
    dimethyl isosorbide 668.19
    tetrachloroethylene 1727.87
    eugenol 370.45
    triacetin 591.45
    span 80 426.74
    1,4-butanediol 431.69
    1,1-dichloroethane 2176.14
    2-methyl-1-pentanol 637.75
    methyl formate 756.11
    2-methyl-1-butanol 951.32
    n-decane 20.54
    butyronitrile 1175.09
    3,7-dimethyl-1-octanol 263.11
    1-chlorooctane 145.39
    1-chlorotetradecane 49.27
    n-nonane 19.91
    undecane 14.17
    tert-butylcyclohexane 52.85
    cyclooctane 33.63
    cyclopentanol 1065.17
    tetrahydropyran 1684.72
    tert-amyl methyl ether 572.53
    2,5,8-trioxanonane 744.38
    1-hexene 314.02
    2-isopropoxyethanol 600.9
    2,2,2-trifluoroethanol 563.2
    methyl butyrate 793.45

    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