5-Pentyl-1,4-dioxan-2-one

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  • Identifiers

    CAS number
    93263-93-5

    Molecular formula
    C9H16O3

    SMILES
    CCCCCC1COC(=O)CO1

  • Odor profile

    Fragrance
    Sweet 73.55%
    Fatty 68.5%
    Fruity 65.6%
    Buttery 60.48%
    Creamy 58.66%
    Caramellic 54.56%
    Peach 52.79%
    Coconut 52.11%
    Lactonic 51.01%
    Milky 47.04%

     

    Flavor
    Sweet 76.39%
    Coconut 75.66%
    Creamy 71.29%
    Fatty 65.44%
    Peach 63.98%
    Waxy 59.78%
    Oily 56.02%
    Fruity 51.98%
    Dairy 49.26%
    Buttery 49.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.65 (neutral)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 98.32 ˚C est.

  • Synonyms

    • 5-PENTYL-1,4-DIOXAN-2-ONE
    • UNII-1X80PRB9BH
    • 1,4-Dioxan-2-one, 5-pentyl-
    • 1X80PRB9BH
    • FEMA No. 2076, 5-pentyl-
    • (+/-)-5-Pentyl-1,4-dioxan-2-one
    • 5-Pentyl-1,4-dioxan-2-one, (+/-)-
    • 93263-93-5
    • Acetic acid, ((1-(hydroxymethyl)hexyl)oxy)-, delta-lactone
    • DTXSID50893787
    • 5-PENTYL-P-DIOXAN-2-ONE
    • ACETIC ACID, ((1-(HYDROXYMETHYL)HEXYL)OXY)-, .DELTA.-LACTONE
    • AYJJZBHSZOCJJX-UHFFFAOYSA-N
    • CHEBI:171937
    • DTXCID701323832
    • NS00120288
    • Q27253023

  • Applications

    5-Pentyl-1,4-dioxan-2-one (CAS 93263-93-5) is primarily used as a cyclic carbonate monomer for ring-opening polymerization to prepare aliphatic polycarbonates bearing hydrophobic pentyl side chains. This enables tuning of biodegradability, flexibility, and thermal properties for specialty polymers used in coatings, adhesives, and related plastics applications. It is commonly evaluated as an intermediate in organic synthesis to introduce carbonate functionality into polymer backbones and as a building block for crosslinkable materials in coatings. In industrial contexts, it may serve as a processing ingredient or reactive precursor in formulation of advanced polymer systems, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1093.48
    methanol 1660.2
    isopropanol 601.18
    water 0.49
    ethyl acetate 1004.43
    n-propanol 593.19
    acetone 1425.75
    n-butanol 523.86
    acetonitrile 838.28
    DMF 1004.62
    toluene 212.1
    isobutanol 387.71
    1,4-dioxane 861.22
    methyl acetate 633.27
    THF 1033.02
    2-butanone 680.3
    n-pentanol 338.04
    sec-butanol 368.84
    n-hexane 14.43
    ethylene glycol 215.29
    NMP 683.25
    cyclohexane 39.08
    DMSO 2751.42
    n-butyl acetate 543.44
    n-octanol 88.39
    chloroform 1617.56
    n-propyl acetate 424.1
    acetic acid 1311.86
    dichloromethane 1838.92
    cyclohexanone 1003.33
    propylene glycol 258.77
    isopropyl acetate 460.56
    DMAc 601.82
    2-ethoxyethanol 589.06
    isopentanol 442.97
    n-heptane 8.9
    ethyl formate 544.49
    1,2-dichloroethane 1249.06
    n-hexanol 282.22
    2-methoxyethanol 1200.32
    isobutyl acetate 225.68
    tetrachloromethane 153.81
    n-pentyl acetate 209.75
    transcutol 2767.11
    n-heptanol 83.33
    ethylbenzene 92.24
    MIBK 330.07
    2-propoxyethanol 563.44
    tert-butanol 700.35
    MTBE 383.25
    2-butoxyethanol 243.34
    propionic acid 613.59
    o-xylene 144.01
    formic acid 452.28
    diethyl ether 458.78
    m-xylene 168.99
    p-xylene 129.17
    chlorobenzene 437.04
    dimethyl carbonate 181.12
    n-octane 4.11
    formamide 709.49
    cyclopentanone 1010.0
    2-pentanone 633.01
    anisole 265.47
    cyclopentyl methyl ether 462.62
    gamma-butyrolactone 1243.37
    1-methoxy-2-propanol 773.98
    pyridine 835.83
    3-pentanone 338.91
    furfural 1099.73
    n-dodecane 4.56
    diethylene glycol 560.17
    diisopropyl ether 102.56
    tert-amyl alcohol 415.88
    acetylacetone 821.73
    n-hexadecane 5.48
    acetophenone 293.99
    methyl propionate 527.84
    isopentyl acetate 418.67
    trichloroethylene 2272.53
    n-nonanol 77.26
    cyclohexanol 418.04
    benzyl alcohol 307.71
    2-ethylhexanol 149.69
    isooctanol 74.61
    dipropyl ether 141.5
    1,2-dichlorobenzene 392.86
    ethyl lactate 173.31
    propylene carbonate 596.45
    n-methylformamide 688.3
    2-pentanol 290.46
    n-pentane 15.35
    1-propoxy-2-propanol 399.28
    1-methoxy-2-propyl acetate 484.86
    2-(2-methoxypropoxy) propanol 345.6
    mesitylene 103.54
    ε-caprolactone 818.76
    p-cymene 72.24
    epichlorohydrin 1437.72
    1,1,1-trichloroethane 816.86
    2-aminoethanol 420.92
    morpholine-4-carbaldehyde 805.3
    sulfolane 1435.02
    2,2,4-trimethylpentane 12.77
    2-methyltetrahydrofuran 748.72
    n-hexyl acetate 283.79
    isooctane 11.76
    2-(2-butoxyethoxy)ethanol 503.83
    sec-butyl acetate 263.92
    tert-butyl acetate 431.1
    decalin 21.25
    glycerin 366.62
    diglyme 950.28
    acrylic acid 526.77
    isopropyl myristate 93.59
    n-butyric acid 974.41
    acetyl acetate 565.52
    di(2-ethylhexyl) phthalate 116.89
    ethyl propionate 336.49
    nitromethane 1872.31
    1,2-diethoxyethane 566.54
    benzonitrile 452.64
    trioctyl phosphate 71.91
    1-bromopropane 451.08
    gamma-valerolactone 1230.63
    n-decanol 56.28
    triethyl phosphate 123.65
    4-methyl-2-pentanol 154.19
    propionitrile 483.1
    vinylene carbonate 572.37
    1,1,2-trichlorotrifluoroethane 1066.26
    DMS 294.66
    cumene 68.31
    2-octanol 57.12
    2-hexanone 337.26
    octyl acetate 116.21
    limonene 110.31
    1,2-dimethoxyethane 806.21
    ethyl orthosilicate 114.88
    tributyl phosphate 116.0
    diacetone alcohol 488.95
    N,N-dimethylaniline 151.74
    acrylonitrile 711.87
    aniline 396.7
    1,3-propanediol 624.79
    bromobenzene 452.3
    dibromomethane 1066.73
    1,1,2,2-tetrachloroethane 1576.77
    2-methyl-cyclohexyl acetate 199.16
    tetrabutyl urea 138.55
    diisobutyl methanol 91.42
    2-phenylethanol 274.55
    styrene 140.26
    dioctyl adipate 176.68
    dimethyl sulfate 316.22
    ethyl butyrate 293.32
    methyl lactate 264.29
    butyl lactate 209.26
    diethyl carbonate 203.56
    propanediol butyl ether 318.48
    triethyl orthoformate 181.61
    p-tert-butyltoluene 69.31
    methyl 4-tert-butylbenzoate 214.82
    morpholine 1095.02
    tert-butylamine 333.88
    n-dodecanol 41.95
    dimethoxymethane 528.85
    ethylene carbonate 461.16
    cyrene 258.61
    2-ethoxyethyl acetate 398.04
    2-ethylhexyl acetate 282.31
    1,2,4-trichlorobenzene 478.94
    4-methylpyridine 718.46
    dibutyl ether 143.51
    2,6-dimethyl-4-heptanol 91.42
    DEF 622.6
    dimethyl isosorbide 494.88
    tetrachloroethylene 949.91
    eugenol 229.86
    triacetin 338.3
    span 80 259.58
    1,4-butanediol 217.37
    1,1-dichloroethane 975.55
    2-methyl-1-pentanol 290.01
    methyl formate 501.09
    2-methyl-1-butanol 351.99
    n-decane 7.51
    butyronitrile 556.28
    3,7-dimethyl-1-octanol 129.43
    1-chlorooctane 58.82
    1-chlorotetradecane 21.94
    n-nonane 6.79
    undecane 5.56
    tert-butylcyclohexane 18.37
    cyclooctane 11.79
    cyclopentanol 420.16
    tetrahydropyran 740.67
    tert-amyl methyl ether 239.07
    2,5,8-trioxanonane 618.75
    1-hexene 93.65
    2-isopropoxyethanol 367.32
    2,2,2-trifluoroethanol 303.97
    methyl butyrate 482.18

    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