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

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  • Identifiers

    CAS number
    92351-85-4

    Molecular formula
    C8H14O3

    SMILES
    CCCCC1COC(=O)CO1

  • Odor profile

    Fragrance
    Caramellic 65.45%
    Fruity 64.23%
    Sweet 60.66%
    Buttery 57.26%
    Fatty 54.9%
    Creamy 47.58%
    Lactonic 45.07%
    Coconut 42.68%
    Nutty 40.31%
    Milky 39.85%

     

    Flavor
    Sweet 80.25%
    Coconut 74.63%
    Creamy 63.28%
    Fatty 57.19%
    Caramel 52.42%
    Peach 52.2%
    Oily 49.36%
    Tonka 47.83%
    Buttery 47.58%
    Dairy 46.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.5 (neutral)

    Molecular weight
    158.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Flash point

    • 88.47 ˚C est.

  • Synonyms

    • 5-BUTYL-1,4-DIOXAN-2-ONE
    • UNII-KP6ZV7PW9A
    • KP6ZV7PW9A
    • 1,4-Dioxan-2-one, 5-butyl-
    • FEMA No. 2204, 5-butyl-
    • (+/-)-5-Butyl-1,4-dioxan-2-one
    • 5-Butyl-1,4-dioxan-2-one, (+/-)-
    • 92351-85-4
    • Acetic acid, ((1-(hydroxymethyl)pentyl)oxy)-, delta-lactone
    • 5-BUTYL-P-DIOXAN-2-ONE
    • DTXSID40893796
    • ACETIC ACID, ((1-(HYDROXYMETHYL)PENTYL)OXY)-, .DELTA.-LACTONE
    • CHEBI:173254
    • DVBUFRRUKPQWBU-UHFFFAOYSA-N
    • DTXCID601323841
    • NS00121165
    • Q27282359

  • Applications

    5-Butyl-1,4-dioxan-2-one is commonly considered a cyclic carbonate monomer or a precursor for carbonate polymers, enabling the synthesis of polycarbonates and related polymers with varying properties. It is also used as an intermediate in organic synthesis and can function as a plasticizer or processing aid in polymer systems, coatings, and related formulations. In industrial applications, it may be evaluated as a solvent or co-solvent for specialty formulations and can act as an additive in electronics-related contexts such as electrolytes for Li-ion battery systems. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 676.87
    methanol 1053.61
    isopropanol 351.5
    water 1.36
    ethyl acetate 433.46
    n-propanol 358.34
    acetone 722.17
    n-butanol 296.69
    acetonitrile 446.97
    DMF 657.66
    toluene 100.1
    isobutanol 234.0
    1,4-dioxane 497.2
    methyl acetate 348.54
    THF 567.95
    2-butanone 334.36
    n-pentanol 193.54
    sec-butanol 213.97
    n-hexane 6.28
    ethylene glycol 202.3
    NMP 465.23
    cyclohexane 18.34
    DMSO 1692.54
    n-butyl acetate 281.17
    n-octanol 71.79
    chloroform 910.31
    n-propyl acetate 201.13
    acetic acid 960.22
    dichloromethane 1037.06
    cyclohexanone 522.27
    propylene glycol 215.84
    isopropyl acetate 203.33
    DMAc 403.4
    2-ethoxyethanol 350.31
    isopentanol 252.68
    n-heptane 5.87
    ethyl formate 319.64
    1,2-dichloroethane 615.1
    n-hexanol 184.85
    2-methoxyethanol 718.64
    isobutyl acetate 117.33
    tetrachloromethane 88.28
    n-pentyl acetate 121.75
    transcutol 1608.99
    n-heptanol 62.65
    ethylbenzene 52.64
    MIBK 159.27
    2-propoxyethanol 348.8
    tert-butanol 433.17
    MTBE 192.14
    2-butoxyethanol 170.41
    propionic acid 423.8
    o-xylene 84.07
    formic acid 399.94
    diethyl ether 171.95
    m-xylene 93.01
    p-xylene 76.82
    chlorobenzene 247.14
    dimethyl carbonate 100.83
    n-octane 3.26
    formamide 515.35
    cyclopentanone 562.05
    2-pentanone 274.16
    anisole 157.3
    cyclopentyl methyl ether 217.1
    gamma-butyrolactone 753.1
    1-methoxy-2-propanol 442.36
    pyridine 438.21
    3-pentanone 156.05
    furfural 704.39
    n-dodecane 4.26
    diethylene glycol 392.87
    diisopropyl ether 45.57
    tert-amyl alcohol 251.6
    acetylacetone 411.14
    n-hexadecane 4.94
    acetophenone 185.24
    methyl propionate 252.5
    isopentyl acetate 226.01
    trichloroethylene 1208.06
    n-nonanol 61.19
    cyclohexanol 233.65
    benzyl alcohol 193.41
    2-ethylhexanol 95.92
    isooctanol 56.88
    dipropyl ether 74.72
    1,2-dichlorobenzene 243.64
    ethyl lactate 114.01
    propylene carbonate 383.52
    n-methylformamide 452.71
    2-pentanol 153.0
    n-pentane 7.18
    1-propoxy-2-propanol 234.9
    1-methoxy-2-propyl acetate 253.85
    2-(2-methoxypropoxy) propanol 238.89
    mesitylene 61.73
    ε-caprolactone 449.36
    p-cymene 49.04
    epichlorohydrin 772.89
    1,1,1-trichloroethane 441.02
    2-aminoethanol 323.15
    morpholine-4-carbaldehyde 533.52
    sulfolane 882.88
    2,2,4-trimethylpentane 8.16
    2-methyltetrahydrofuran 371.57
    n-hexyl acetate 181.02
    isooctane 7.39
    2-(2-butoxyethoxy)ethanol 340.3
    sec-butyl acetate 124.67
    tert-butyl acetate 208.26
    decalin 12.85
    glycerin 312.28
    diglyme 603.16
    acrylic acid 396.37
    isopropyl myristate 64.79
    n-butyric acid 594.08
    acetyl acetate 305.96
    di(2-ethylhexyl) phthalate 86.43
    ethyl propionate 161.09
    nitromethane 1140.83
    1,2-diethoxyethane 291.19
    benzonitrile 288.69
    trioctyl phosphate 55.79
    1-bromopropane 209.51
    gamma-valerolactone 692.35
    n-decanol 45.73
    triethyl phosphate 80.42
    4-methyl-2-pentanol 91.05
    propionitrile 267.52
    vinylene carbonate 371.98
    1,1,2-trichlorotrifluoroethane 632.91
    DMS 184.72
    cumene 44.15
    2-octanol 44.7
    2-hexanone 164.32
    octyl acetate 83.18
    limonene 70.98
    1,2-dimethoxyethane 445.04
    ethyl orthosilicate 72.39
    tributyl phosphate 81.68
    diacetone alcohol 281.57
    N,N-dimethylaniline 97.21
    acrylonitrile 431.76
    aniline 222.7
    1,3-propanediol 426.64
    bromobenzene 240.71
    dibromomethane 572.47
    1,1,2,2-tetrachloroethane 859.96
    2-methyl-cyclohexyl acetate 123.77
    tetrabutyl urea 100.95
    diisobutyl methanol 62.75
    2-phenylethanol 181.98
    styrene 76.33
    dioctyl adipate 122.28
    dimethyl sulfate 201.69
    ethyl butyrate 159.68
    methyl lactate 174.89
    butyl lactate 138.49
    diethyl carbonate 119.33
    propanediol butyl ether 235.37
    triethyl orthoformate 104.6
    p-tert-butyltoluene 46.85
    methyl 4-tert-butylbenzoate 157.81
    morpholine 585.16
    tert-butylamine 196.23
    n-dodecanol 35.38
    dimethoxymethane 269.84
    ethylene carbonate 297.93
    cyrene 190.09
    2-ethoxyethyl acetate 222.68
    2-ethylhexyl acetate 152.63
    1,2,4-trichlorobenzene 297.7
    4-methylpyridine 380.73
    dibutyl ether 83.9
    2,6-dimethyl-4-heptanol 62.75
    DEF 303.78
    dimethyl isosorbide 335.71
    tetrachloroethylene 553.79
    eugenol 169.01
    triacetin 222.03
    span 80 188.42
    1,4-butanediol 156.17
    1,1-dichloroethane 509.34
    2-methyl-1-pentanol 173.83
    methyl formate 345.87
    2-methyl-1-butanol 207.65
    n-decane 6.21
    butyronitrile 294.34
    3,7-dimethyl-1-octanol 93.32
    1-chlorooctane 41.99
    1-chlorotetradecane 17.83
    n-nonane 5.61
    undecane 4.99
    tert-butylcyclohexane 11.57
    cyclooctane 6.29
    cyclopentanol 258.08
    tetrahydropyran 349.6
    tert-amyl methyl ether 120.86
    2,5,8-trioxanonane 422.78
    1-hexene 39.7
    2-isopropoxyethanol 215.59
    2,2,2-trifluoroethanol 242.97
    methyl butyrate 241.39

    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