1,3-Dioxecan-2-one

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C8H14O3

    SMILES
    C1CCCOC(=O)OCCC1

  • Odor profile

    Sweet 68.06%
    Fruity 55.33%
    Coumarinic 44.32%
    Coconut 42.64%
    Woody 41.14%
    Oily 40.97%
    Herbal 38.3%
    Floral 38.12%
    Musk 37.5%
    Tobacco 37.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    158.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point est.
    95.16 ˚C

  • Synonyms

    • SCHEMBL7620959

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 397.47
    methanol 598.21
    isopropanol 352.71
    water 0.61
    ethyl acetate 334.88
    n-propanol 310.95
    acetone 742.81
    n-butanol 257.62
    acetonitrile 474.71
    DMF 1288.77
    toluene 194.84
    isobutanol 249.08
    1,4-dioxane 526.22
    methyl acetate 364.72
    THF 897.27
    2-butanone 478.87
    n-pentanol 205.45
    sec-butanol 263.38
    n-hexane 37.77
    ethylene glycol 112.53
    NMP 1153.67
    cyclohexane 55.41
    DMSO 1476.59
    n-butyl acetate 297.45
    n-octanol 148.07
    chloroform 1654.97
    n-propyl acetate 275.23
    acetic acid 688.57
    dichloromethane 1604.55
    cyclohexanone 790.88
    propylene glycol 143.18
    isopropyl acetate 237.17
    DMAc 753.19
    2-ethoxyethanol 276.94
    isopentanol 223.14
    n-heptane 21.26
    ethyl formate 310.17
    1,2-dichloroethane 944.54
    n-hexanol 180.75
    2-methoxyethanol 498.39
    isobutyl acetate 171.62
    tetrachloromethane 162.23
    n-pentyl acetate 262.47
    transcutol 805.06
    n-heptanol 112.01
    ethylbenzene 112.91
    MIBK 230.34
    2-propoxyethanol 317.21
    tert-butanol 357.27
    MTBE 253.59
    2-butoxyethanol 223.55
    propionic acid 471.77
    o-xylene 143.72
    formic acid 195.92
    diethyl ether 253.24
    m-xylene 147.04
    p-xylene 164.0
    chlorobenzene 449.76
    dimethyl carbonate 160.25
    n-octane 15.61
    formamide 322.46
    cyclopentanone 1100.64
    2-pentanone 395.9
    anisole 219.99
    cyclopentyl methyl ether 370.15
    gamma-butyrolactone 1329.44
    1-methoxy-2-propanol 392.55
    pyridine 740.11
    3-pentanone 294.14
    furfural 900.31
    n-dodecane 15.77
    diethylene glycol 240.14
    diisopropyl ether 83.25
    tert-amyl alcohol 276.6
    acetylacetone 470.35
    n-hexadecane 18.28
    acetophenone 276.24
    methyl propionate 324.3
    isopentyl acetate 238.16
    trichloroethylene 1678.33
    n-nonanol 121.37
    cyclohexanol 289.33
    benzyl alcohol 211.96
    2-ethylhexanol 112.92
    isooctanol 96.56
    dipropyl ether 134.59
    1,2-dichlorobenzene 415.31
    ethyl lactate 141.88
    propylene carbonate 670.94
    n-methylformamide 626.36
    2-pentanol 185.68
    n-pentane 31.01
    1-propoxy-2-propanol 233.41
    1-methoxy-2-propyl acetate 236.55
    2-(2-methoxypropoxy) propanol 204.1
    mesitylene 99.87
    ε-caprolactone 630.16
    p-cymene 79.98
    epichlorohydrin 979.53
    1,1,1-trichloroethane 685.41
    2-aminoethanol 201.56
    morpholine-4-carbaldehyde 719.59
    sulfolane 1746.37
    2,2,4-trimethylpentane 21.5
    2-methyltetrahydrofuran 598.48
    n-hexyl acetate 346.2
    isooctane 16.05
    2-(2-butoxyethoxy)ethanol 307.71
    sec-butyl acetate 171.4
    tert-butyl acetate 257.14
    decalin 35.98
    glycerin 208.9
    diglyme 517.73
    acrylic acid 493.53
    isopropyl myristate 113.47
    n-butyric acid 554.46
    acetyl acetate 255.37
    di(2-ethylhexyl) phthalate 120.3
    ethyl propionate 226.0
    nitromethane 946.13
    1,2-diethoxyethane 253.01
    benzonitrile 388.3
    trioctyl phosphate 94.39
    1-bromopropane 467.31
    gamma-valerolactone 979.5
    n-decanol 87.02
    triethyl phosphate 107.22
    4-methyl-2-pentanol 108.29
    propionitrile 392.75
    vinylene carbonate 578.19
    1,1,2-trichlorotrifluoroethane 675.61
    DMS 259.92
    cumene 84.41
    2-octanol 98.51
    2-hexanone 276.64
    octyl acetate 156.59
    limonene 112.61
    1,2-dimethoxyethane 465.1
    ethyl orthosilicate 96.29
    tributyl phosphate 113.67
    diacetone alcohol 297.36
    N,N-dimethylaniline 164.59
    acrylonitrile 608.76
    aniline 267.41
    1,3-propanediol 270.8
    bromobenzene 507.26
    dibromomethane 1037.26
    1,1,2,2-tetrachloroethane 1366.35
    2-methyl-cyclohexyl acetate 163.89
    tetrabutyl urea 159.3
    diisobutyl methanol 77.87
    2-phenylethanol 183.82
    styrene 164.02
    dioctyl adipate 169.61
    dimethyl sulfate 367.08
    ethyl butyrate 200.69
    methyl lactate 208.02
    butyl lactate 205.1
    diethyl carbonate 144.02
    propanediol butyl ether 260.05
    triethyl orthoformate 132.89
    p-tert-butyltoluene 76.75
    methyl 4-tert-butylbenzoate 247.06
    morpholine 649.13
    tert-butylamine 213.09
    n-dodecanol 67.19
    dimethoxymethane 404.92
    ethylene carbonate 446.38
    cyrene 233.46
    2-ethoxyethyl acetate 277.98
    2-ethylhexyl acetate 189.13
    1,2,4-trichlorobenzene 465.66
    4-methylpyridine 575.69
    dibutyl ether 159.25
    2,6-dimethyl-4-heptanol 77.87
    DEF 494.58
    dimethyl isosorbide 355.44
    tetrachloroethylene 833.65
    eugenol 230.8
    triacetin 281.96
    span 80 218.42
    1,4-butanediol 122.7
    1,1-dichloroethane 862.78
    2-methyl-1-pentanol 168.58
    methyl formate 421.8
    2-methyl-1-butanol 208.87
    n-decane 24.91
    butyronitrile 393.14
    3,7-dimethyl-1-octanol 119.63
    1-chlorooctane 116.2
    1-chlorotetradecane 45.64
    n-nonane 24.56
    undecane 18.94
    tert-butylcyclohexane 30.4
    cyclooctane 18.39
    cyclopentanol 438.2
    tetrahydropyran 535.28
    tert-amyl methyl ether 185.33
    2,5,8-trioxanonane 343.58
    1-hexene 145.45
    2-isopropoxyethanol 197.24
    2,2,2-trifluoroethanol 221.17
    methyl butyrate 338.19

    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