2H-Pyran-2-one, tetrahydro-5-pentyl-

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  • Identifiers

    CAS number
    875471-31-1

    Molecular formula
    C10H18O2

    SMILES
    CCCCCC1CCC(=O)OC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 75.61%
    Sweet 75.54%
    Coconut 73.46%
    Creamy 69.55%
    Fruity 68.66%
    Peach 63.02%
    Lactonic 62.98%
    Waxy 60.75%
    Milky 58.41%
    Buttery 55.19%

     

    Flavor
    Creamy 70.68%
    Coconut 69.48%
    Peach 67.57%
    Fruity 67.52%
    Fatty 64.2%
    Sweet 63.01%
    Waxy 62.21%
    Oily 54.59%
    Fresh 45.97%
    Dairy 44.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.11 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    267°C

    Flash point

    • 95.02 ˚C est.

  • Synonyms

    • 2H-Pyran-2-one, tetrahydro-5-pentyl-
    • 875471-31-1
    • DTXSID30889224
    • 5-Pentyloxan-2-on
    • 5-PENTYLOXAN-2-ONE
    • 5-pentyltetrahydropyran-2-one
    • SCHEMBL2927985
    • DTXCID001028489
    • 474-190-2

  • Applications

    2H-Pyran-2-one, tetrahydro-5-pentyl- (CAS 875471-31-1) is a saturated gamma-lactone with a fruity, peach-like aroma and is commonly used as a fragrance ingredient in perfumery and flavor formulations, imparting fruity notes including peach in fragrance systems. It is also employed in cosmetics and personal care as a fragrance component, and may appear in household products such as air fresheners to provide scent. In industrial manufacturing, the compound is often used as an intermediate in the synthesis of other lactones and aromatic compounds, and can be used as a fragrance additive in polymers and coatings depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4104.82
    methanol 4585.55
    isopropanol 3180.37
    water 0.12
    ethyl acetate 4128.66
    n-propanol 2782.15
    acetone 5719.1
    n-butanol 2364.58
    acetonitrile 3491.45
    DMF 3108.31
    toluene 1156.13
    isobutanol 1719.34
    1,4-dioxane 3442.03
    methyl acetate 2423.63
    THF 4069.78
    2-butanone 3524.31
    n-pentanol 1540.6
    sec-butanol 1940.07
    n-hexane 147.42
    ethylene glycol 289.05
    NMP 1508.06
    cyclohexane 198.88
    DMSO 4802.6
    n-butyl acetate 2590.81
    n-octanol 401.15
    chloroform 5585.39
    n-propyl acetate 2074.86
    acetic acid 2088.19
    dichloromethane 5405.3
    cyclohexanone 3512.28
    propylene glycol 574.57
    isopropyl acetate 2201.18
    DMAc 1513.89
    2-ethoxyethanol 1706.53
    isopentanol 1974.64
    n-heptane 48.53
    ethyl formate 1857.2
    1,2-dichloroethane 3415.45
    n-hexanol 1368.32
    2-methoxyethanol 3144.29
    isobutyl acetate 1082.8
    tetrachloromethane 527.32
    n-pentyl acetate 1025.03
    transcutol 7619.39
    n-heptanol 415.95
    ethylbenzene 462.13
    MIBK 1462.5
    2-propoxyethanol 2102.37
    tert-butanol 2897.09
    MTBE 2593.67
    2-butoxyethanol 937.46
    propionic acid 1674.5
    o-xylene 510.18
    formic acid 472.96
    diethyl ether 2977.49
    m-xylene 693.79
    p-xylene 551.09
    chlorobenzene 1545.25
    dimethyl carbonate 496.93
    n-octane 20.51
    formamide 913.53
    cyclopentanone 3273.4
    2-pentanone 3202.91
    anisole 1090.43
    cyclopentyl methyl ether 1917.05
    gamma-butyrolactone 3318.49
    1-methoxy-2-propanol 2391.78
    pyridine 3317.17
    3-pentanone 1579.83
    furfural 2489.86
    n-dodecane 17.94
    diethylene glycol 1174.74
    diisopropyl ether 624.65
    tert-amyl alcohol 1777.45
    acetylacetone 2628.75
    n-hexadecane 21.93
    acetophenone 921.9
    methyl propionate 1983.11
    isopentyl acetate 1870.5
    trichloroethylene 5680.82
    n-nonanol 330.27
    cyclohexanol 1550.65
    benzyl alcohol 923.5
    2-ethylhexanol 688.89
    isooctanol 348.14
    dipropyl ether 824.43
    1,2-dichlorobenzene 1171.98
    ethyl lactate 491.91
    propylene carbonate 1662.39
    n-methylformamide 1921.73
    2-pentanol 1480.66
    n-pentane 111.73
    1-propoxy-2-propanol 1595.41
    1-methoxy-2-propyl acetate 1751.8
    2-(2-methoxypropoxy) propanol 895.62
    mesitylene 362.4
    ε-caprolactone 2689.95
    p-cymene 238.69
    epichlorohydrin 3893.46
    1,1,1-trichloroethane 2741.91
    2-aminoethanol 895.13
    morpholine-4-carbaldehyde 2147.36
    sulfolane 2812.15
    2,2,4-trimethylpentane 62.44
    2-methyltetrahydrofuran 3404.26
    n-hexyl acetate 1243.95
    isooctane 60.51
    2-(2-butoxyethoxy)ethanol 1450.0
    sec-butyl acetate 1251.84
    tert-butyl acetate 1745.1
    decalin 96.71
    glycerin 588.22
    diglyme 2645.25
    acrylic acid 1091.53
    isopropyl myristate 352.12
    n-butyric acid 3144.8
    acetyl acetate 1533.17
    di(2-ethylhexyl) phthalate 331.8
    ethyl propionate 1439.05
    nitromethane 3509.74
    1,2-diethoxyethane 2492.48
    benzonitrile 1580.26
    trioctyl phosphate 218.42
    1-bromopropane 2103.49
    gamma-valerolactone 3823.95
    n-decanol 229.49
    triethyl phosphate 316.13
    4-methyl-2-pentanol 673.67
    propionitrile 2384.7
    vinylene carbonate 1483.71
    1,1,2-trichlorotrifluoroethane 2112.57
    DMS 822.58
    cumene 279.0
    2-octanol 302.34
    2-hexanone 1830.75
    octyl acetate 442.18
    limonene 374.05
    1,2-dimethoxyethane 2979.47
    ethyl orthosilicate 323.73
    tributyl phosphate 332.21
    diacetone alcohol 1558.21
    N,N-dimethylaniline 513.25
    acrylonitrile 2585.18
    aniline 1511.72
    1,3-propanediol 1578.01
    bromobenzene 1668.32
    dibromomethane 3670.29
    1,1,2,2-tetrachloroethane 3886.23
    2-methyl-cyclohexyl acetate 640.13
    tetrabutyl urea 369.91
    diisobutyl methanol 366.73
    2-phenylethanol 894.33
    styrene 750.05
    dioctyl adipate 518.1
    dimethyl sulfate 619.46
    ethyl butyrate 1232.84
    methyl lactate 641.74
    butyl lactate 702.22
    diethyl carbonate 662.61
    propanediol butyl ether 897.09
    triethyl orthoformate 624.66
    p-tert-butyltoluene 233.4
    methyl 4-tert-butylbenzoate 600.55
    morpholine 4757.59
    tert-butylamine 1599.06
    n-dodecanol 164.19
    dimethoxymethane 2110.15
    ethylene carbonate 1318.62
    cyrene 538.22
    2-ethoxyethyl acetate 1479.44
    2-ethylhexyl acetate 1237.22
    1,2,4-trichlorobenzene 1318.49
    4-methylpyridine 3304.98
    dibutyl ether 811.47
    2,6-dimethyl-4-heptanol 366.73
    DEF 2509.59
    dimethyl isosorbide 1192.23
    tetrachloroethylene 2394.79
    eugenol 630.58
    triacetin 928.14
    span 80 727.97
    1,4-butanediol 523.07
    1,1-dichloroethane 3990.0
    2-methyl-1-pentanol 1242.75
    methyl formate 1109.21
    2-methyl-1-butanol 1558.98
    n-decane 34.97
    butyronitrile 2812.47
    3,7-dimethyl-1-octanol 514.38
    1-chlorooctane 272.75
    1-chlorotetradecane 83.47
    n-nonane 32.93
    undecane 23.78
    tert-butylcyclohexane 95.33
    cyclooctane 53.98
    cyclopentanol 1507.42
    tetrahydropyran 3998.62
    tert-amyl methyl ether 1299.73
    2,5,8-trioxanonane 1460.12
    1-hexene 928.7
    2-isopropoxyethanol 1228.31
    2,2,2-trifluoroethanol 406.75
    methyl butyrate 2204.92

    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