1,4-Dioxane

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  • Identifiers

    CAS number
    123-91-1

    Molecular formula
    C4H8O2

    SMILES
    C1COCCO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 82.25%
    Ethereal 65.51%
    Solvent 50.25%
    Alcoholic 30.73%
    Musty 30.15%
    Pungent 28.76%
    Oily 27.94%
    Fermented 27.3%
    Caramellic 24.87%
    Rummy 23.79%

     

    Flavor
    Vegetable 28.36%
    Caramel 24.0%
    Cauliflower 22.55%
    Roasted 21.88%
    Shrimp 20.93%
    Alkaline 20.78%
    Oily 20.04%
    Fishy 19.68%
    Clam 19.16%
    Solvent 19.1%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 0.8 [mmHg]. Odor Threshold High: 172.0 [mmHg]. Detection odor threshold from AIHA (mean = 12 ppm)
    • ...Air threshold of recognition at 170 ppm. This odor recognition threshold allows for dioxane to be detected before acute toxic effects occur.

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    5.47 (weak acid)

    Molecular weight
    88.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 53.2 °F (NTP, 1992)
    • 11.75 °C
    • 12 °C
    • 53 °F

    Boiling point

    • 214 °F at 760 mmHg (NTP, 1992)
    • 101.2 °C
    • 101 °C
    • 214 °F

    Flash point

    • 14.33 ˚C est.
    • 54 °F (NTP, 1992)
    • 18 °C
    • 65 °F (18.3 °C) (Open cup)
    • 12 °C c.c.
    • 55 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
    • In water, >800 g/L at 25 °C
    • Miscible with most organic solvents
    • Miscible with aromatic hydrocarbons and oils.
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • 1,4-DIOXANE
    • Dioxane
    • 123-91-1
    • p-Dioxane
    • Diethylene ether
    • 1,4-Diethylene dioxide
    • Dioxan
    • 1,4-Dioxacyclohexane
    • Tetrahydro-p-dioxin
    • Di(ethylene oxide)
    • Tetrahydro-1,4-dioxin
    • Dioxane-1,4
    • Dioxanne
    • 1,4-Dioxan
    • Diethylene oxide
    • Diethylene dioxide
    • Glycol ethylene ether
    • Dioxan-1,4
    • para-Dioxane
    • p-Dioxan
    • Tetrahydro-para-dioxin
    • Dioxyethylene ether
    • Diokan
    • Dioksan
    • Glycolethylenether
    • 1,4-Dioxanne
    • Diossano-1,4
    • Dioxaan-1,4
    • 1, 4-dioxane
    • 1,4-Diethyleneoxide
    • p-Dioxin, tetrahydro-
    • Dioxane, technical grade
    • 1,4-Dioxanne [French]
    • RCRA waste number U108
    • NCI-C03689
    • NSC 8728
    • HSDB 81
    • CCRIS 269
    • paradioxane
    • 1,4-Diethylenedioxide
    • EINECS 204-661-8
    • UNII-J8A3S10O7S
    • MFCD00006571
    • NE 220
    • UN1165
    • 1,4 dioxane
    • 1.4-dioxane
    • UN 1165
    • 1-4 Dioxane
    • BRN 0102551
    • DTXSID4020533
    • CHEBI:47032
    • AI3-01055
    • Glycol ethylene ether 8
    • NSC-8728
    • DIOXANE [MI]
    • DIOXAN [MART.]
    • 1,4-Dioxin, tetrahydro-
    • DTXCID00533
    • 1,4-DIOXANE [HSDB]
    • 1,4-DIOXANE [IARC]
    • J8A3S10O7S
    • 1,4-DIOXANE [USP-RS]
    • NSC8728
    • EC 204-661-8
    • 5-19-01-00016 (Beilstein Handbook Reference)
    • DIOXAN (MART.)
    • Dioksan [Polish]
    • 1,4-Dioxane, HPLC Grade
    • Dioxanne [French]
    • p-Dioxan [Czech]
    • 1,4-DIOXANE (IARC)
    • [1,4]dioxane
    • 1,4-DIOXANE (USP-RS)
    • Dioxaan-1,4 [Dutch]
    • Dioxan-1,4 [German]
    • Diossano-1,4 [Italian]
    • 28552-22-9
    • 1,4-Dioxane, ACS reagent, >=99.0%
    • 1, 4-Diethylene dioxide
    • RCRA waste no. U108
    • pDioxan
    • Ethylene glycol ethylene ether
    • Glykolethylether
    • para-dioxan
    • Tetrahydropdioxin
    • 1,4dioxane
    • Tetrahydroparadioxin
    • 1,4Dioxanne
    • Diossano1,4
    • 1,4dioxan
    • pDioxin, tetrahydro
    • Dioxaan1,4
    • Dioxane1,4
    • 1,4dioxacyclohexane
    • 1-4-dioxane
    • Tetrahydro-p-dioxane
    • Tetrahydro1,4dioxin
    • Dioxan1,4
    • 1,4 dioxan
    • Dioxane 1.4
    • 1 ,4-dioxane
    • 1, 4 dioxane
    • 1,-4-dioxane
    • 1,4 -dioxane
    • 1,4,-dioxane
    • 1,4- dioxane
    • 1,4-di-oxane
    • 1 ,4-dioxan
    • 1,4 -dioxan
    • [1,4]-dioxane
    • 1,4Diethylene dioxide
    • 1,4 Diethylene Ether
    • Tetrahydro-1,4-dioxan
    • 1,4-Dioxane, anhydrous
    • Dioxane (ACGIH:OSHA)
    • WLN: T6O DOTJ
    • 1,4-Dioxane, for HPLC
    • 1,4-Dioxane, ACS Grade
    • BIDD:ER0341
    • CHEMBL453716
    • 1,4-Dioxane, SAJ first grade
    • CHEBI:46923
    • DTXSID80196672
    • 1,4-Dioxane, analytical standard
    • 1,4-Dioxane, p.a., 99%
    • 1,4-Dioxane, LR, >=99%
    • BCP16201

  • Applications

    1,4-Dioxane is a polar aprotic solvent widely used as a processing solvent in industrial coatings, inks, adhesives, and cleaning formulations; it also serves as a reaction medium and processing solvent in the synthesis of polymers and specialty chemicals, including ethoxylation processes; in plastics and polymer manufacturing, it is used as a solvent for processing and formulation of resins and polymer blends; it may appear as a trace or residual solvent in ethoxylated surfactants used in cosmetics, personal care, and household products; in pharmaceutical manufacturing, 1,4-dioxane is used as an organic solvent for synthesis and purification under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.71
    methanol 150.18
    isopropanol 54.36
    water 20.25
    ethyl acetate 89.05
    n-propanol 62.82
    acetone 112.35
    n-butanol 42.44
    acetonitrile 177.42
    DMF 219.55
    toluene 23.81
    isobutanol 38.14
    1,4-dioxane 153.91
    methyl acetate 108.11
    THF 174.89
    2-butanone 78.66
    n-pentanol 23.94
    sec-butanol 43.96
    n-hexane 6.48
    ethylene glycol 77.66
    NMP 218.61
    cyclohexane 17.91
    DMSO 293.99
    n-butyl acetate 26.51
    n-octanol 13.02
    chloroform 439.79
    n-propyl acetate 30.03
    acetic acid 315.13
    dichloromethane 389.13
    cyclohexanone 83.38
    propylene glycol 53.15
    isopropyl acetate 30.69
    DMAc 182.31
    2-ethoxyethanol 77.09
    isopentanol 25.24
    n-heptane 8.89
    ethyl formate 69.07
    1,2-dichloroethane 161.69
    n-hexanol 20.66
    2-methoxyethanol 167.44
    isobutyl acetate 13.56
    tetrachloromethane 92.26
    n-pentyl acetate 17.24
    transcutol 144.56
    n-heptanol 12.35
    ethylbenzene 10.51
    MIBK 16.4
    2-propoxyethanol 59.94
    tert-butanol 54.09
    MTBE 29.3
    2-butoxyethanol 34.53
    propionic acid 153.47
    o-xylene 19.73
    formic acid 206.38
    diethyl ether 54.48
    m-xylene 13.14
    p-xylene 16.14
    chlorobenzene 56.64
    dimethyl carbonate 31.39
    n-octane 3.12
    formamide 266.05
    cyclopentanone 131.79
    2-pentanone 42.03
    anisole 33.32
    cyclopentyl methyl ether 56.76
    gamma-butyrolactone 214.86
    1-methoxy-2-propanol 94.11
    pyridine 165.71
    3-pentanone 48.86
    furfural 220.24
    n-dodecane 2.23
    diethylene glycol 68.58
    diisopropyl ether 9.06
    tert-amyl alcohol 41.05
    acetylacetone 55.86
    n-hexadecane 2.41
    acetophenone 35.06
    methyl propionate 74.19
    isopentyl acetate 17.75
    trichloroethylene 325.07
    n-nonanol 13.08
    cyclohexanol 44.37
    benzyl alcohol 38.6
    2-ethylhexanol 13.84
    isooctanol 10.12
    dipropyl ether 29.37
    1,2-dichlorobenzene 53.38
    ethyl lactate 24.06
    propylene carbonate 81.28
    n-methylformamide 176.92
    2-pentanol 23.49
    n-pentane 8.24
    1-propoxy-2-propanol 39.31
    1-methoxy-2-propyl acetate 31.43
    2-(2-methoxypropoxy) propanol 36.57
    mesitylene 8.18
    ε-caprolactone 87.51
    p-cymene 11.01
    epichlorohydrin 175.74
    1,1,1-trichloroethane 155.38
    2-aminoethanol 95.85
    morpholine-4-carbaldehyde 185.02
    sulfolane 215.69
    2,2,4-trimethylpentane 3.49
    2-methyltetrahydrofuran 108.46
    n-hexyl acetate 23.51
    isooctane 1.72
    2-(2-butoxyethoxy)ethanol 46.3
    sec-butyl acetate 16.23
    tert-butyl acetate 22.09
    decalin 4.93
    glycerin 106.09
    diglyme 95.2
    acrylic acid 181.55
    isopropyl myristate 10.41
    n-butyric acid 104.92
    acetyl acetate 68.33
    di(2-ethylhexyl) phthalate 13.6
    ethyl propionate 34.92
    nitromethane 396.47
    1,2-diethoxyethane 38.39
    benzonitrile 51.23
    trioctyl phosphate 8.13
    1-bromopropane 73.06
    gamma-valerolactone 165.18
    n-decanol 9.67
    triethyl phosphate 19.48
    4-methyl-2-pentanol 9.71
    propionitrile 93.32
    vinylene carbonate 84.53
    1,1,2-trichlorotrifluoroethane 214.87
    DMS 29.24
    cumene 8.34
    2-octanol 7.21
    2-hexanone 23.11
    octyl acetate 14.59
    limonene 16.76
    1,2-dimethoxyethane 94.17
    ethyl orthosilicate 17.52
    tributyl phosphate 11.46
    diacetone alcohol 33.62
    N,N-dimethylaniline 25.65
    acrylonitrile 152.05
    aniline 69.45
    1,3-propanediol 82.81
    bromobenzene 50.22
    dibromomethane 226.38
    1,1,2,2-tetrachloroethane 233.15
    2-methyl-cyclohexyl acetate 19.86
    tetrabutyl urea 16.98
    diisobutyl methanol 9.53
    2-phenylethanol 27.9
    styrene 17.4
    dioctyl adipate 19.94
    dimethyl sulfate 62.75
    ethyl butyrate 29.56
    methyl lactate 53.21
    butyl lactate 17.34
    diethyl carbonate 22.3
    propanediol butyl ether 25.58
    triethyl orthoformate 21.69
    p-tert-butyltoluene 10.68
    methyl 4-tert-butylbenzoate 29.76
    morpholine 180.48
    tert-butylamine 35.67
    n-dodecanol 7.89
    dimethoxymethane 84.98
    ethylene carbonate 62.84
    cyrene 42.29
    2-ethoxyethyl acetate 32.44
    2-ethylhexyl acetate 15.46
    1,2,4-trichlorobenzene 73.25
    4-methylpyridine 90.21
    dibutyl ether 18.18
    2,6-dimethyl-4-heptanol 9.53
    DEF 82.75
    dimethyl isosorbide 60.51
    tetrachloroethylene 185.55
    eugenol 30.46
    triacetin 39.75
    span 80 33.97
    1,4-butanediol 30.95
    1,1-dichloroethane 152.99
    2-methyl-1-pentanol 16.58
    methyl formate 107.72
    2-methyl-1-butanol 29.22
    n-decane 4.0
    butyronitrile 59.06
    3,7-dimethyl-1-octanol 13.19
    1-chlorooctane 11.62
    1-chlorotetradecane 5.14
    n-nonane 4.01
    undecane 2.84
    tert-butylcyclohexane 3.86
    cyclooctane 5.39
    cyclopentanol 72.52
    tetrahydropyran 98.14
    tert-amyl methyl ether 25.45
    2,5,8-trioxanonane 74.13
    1-hexene 16.0
    2-isopropoxyethanol 40.87
    2,2,2-trifluoroethanol 177.29
    methyl butyrate 40.35

    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