Oxetane

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  • Identifiers

    CAS number
    503-30-0

    Molecular formula
    C3H6O

    SMILES
    C1COC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sweet 83.07%
    Ethereal 62.16%
    Fruity 45.06%
    Solvent 39.66%
    Pungent 32.67%
    Fermented 29.09%
    Musty 29.02%
    Rummy 28.83%
    Aromatic 28.1%
    Alcoholic 26.5%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.1

    Molecular weight
    58.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 122 °F at 760 mmHg (NTP, 1992)
    • 48 °C @ 750 mm Hg

    Flash point est.
    -21.97 ˚C

    Flash point expt.

    • -19 °F (NTP, 1992)
    • -28 °C

    Solubility expt.

    • 10 to 50 mg/mL at 68 °F (NTP, 1992)
    • SOL IN ALL PROPORTIONS OF WATER, ALCOHOL; SOL IN ETHER; VERY SOL IN ACETONE, ORGANIC SOLVENTS
    • In water, miscible.

  • Synonyms

    • Oxetane
    • Trimethylene oxide
    • 503-30-0
    • 1,3-Propylene oxide
    • 1,3-EPOXYPROPANE
    • Oxacyclobutane
    • Cyclooxabutane
    • Trimethylenoxid
    • 1,3-Trimethylene oxide
    • Oxetan
    • Propane, 1,3-epoxy-
    • CCRIS 4707
    • HSDB 5492
    • EINECS 207-964-3
    • NSC 30086
    • UNII-I279Q16FU6
    • DTXSID8025969
    • CHEBI:30965
    • AI3-52868
    • NSC-30086
    • DTXCID705969
    • .alpha.,.gamma.-Propane oxide
    • TRIMETHYLENE OXIDE [MI]
    • PROPYLENE OXIDE, 1,3-
    • 1,3-EPOXYPROPANE [HSDB]
    • I279Q16FU6
    • Trimethyleneoxide
    • Trimethylenoxid [German]
    • alpha,gamma-Propane oxide
    • Trimethylene oxide, 97%
    • oxytrimethylene
    • 1,3Epoxypropane
    • 1,3Propylene oxide
    • MFCD00005167
    • Propane, 1,3epoxy
    • alpha,gammaPropane oxide
    • WLN: T4OTJ
    • Trimethylene oxide (8CI)
    • CHEMBL1538076
    • NSC30086
    • Tox21_200739
    • AKOS005146196
    • NCGC00090837-01
    • NCGC00090837-02
    • NCGC00258293-01
    • CAS-503-30-0
    • DB-003751
    • NS00020204
    • T0473
    • Trimethylene oxide, purum, >=97.0% (GC)
    • D92348
    • EN300-128688
    • Q418107
    • 207-964-3
    • 25722-06-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 359.26
    methanol 531.55
    isopropanol 190.64
    water 25.8
    ethyl acetate 59.88
    n-propanol 203.28
    acetone 149.8
    n-butanol 150.55
    acetonitrile 145.96
    DMF 251.77
    toluene 16.8
    isobutanol 114.68
    1,4-dioxane 133.43
    methyl acetate 86.16
    THF 169.63
    2-butanone 84.97
    n-pentanol 74.5
    sec-butanol 120.23
    n-hexane 12.89
    ethylene glycol 283.14
    NMP 183.33
    cyclohexane 22.88
    DMSO 268.11
    n-butyl acetate 55.83
    n-octanol 38.21
    chloroform 319.39
    n-propyl acetate 40.75
    acetic acid 739.57
    dichloromethane 244.92
    cyclohexanone 101.1
    propylene glycol 233.35
    isopropyl acetate 26.13
    DMAc 133.15
    2-ethoxyethanol 130.71
    isopentanol 78.1
    n-heptane 20.05
    ethyl formate 64.97
    1,2-dichloroethane 106.56
    n-hexanol 91.17
    2-methoxyethanol 285.64
    isobutyl acetate 23.02
    tetrachloromethane 59.19
    n-pentyl acetate 28.88
    transcutol 308.22
    n-heptanol 40.96
    ethylbenzene 9.89
    MIBK 22.2
    2-propoxyethanol 157.26
    tert-butanol 125.91
    MTBE 37.7
    2-butoxyethanol 90.0
    propionic acid 278.31
    o-xylene 14.09
    formic acid 402.46
    diethyl ether 54.83
    m-xylene 11.57
    p-xylene 14.58
    chlorobenzene 40.18
    dimethyl carbonate 29.99
    n-octane 5.47
    formamide 301.45
    cyclopentanone 144.64
    2-pentanone 47.76
    anisole 30.13
    cyclopentyl methyl ether 62.44
    gamma-butyrolactone 173.23
    1-methoxy-2-propanol 155.07
    pyridine 131.7
    3-pentanone 43.04
    furfural 167.1
    n-dodecane 4.4
    diethylene glycol 201.99
    diisopropyl ether 11.47
    tert-amyl alcohol 80.51
    acetylacetone 53.51
    n-hexadecane 4.56
    acetophenone 32.29
    methyl propionate 60.97
    isopentyl acetate 37.09
    trichloroethylene 203.23
    n-nonanol 32.78
    cyclohexanol 103.35
    benzyl alcohol 44.37
    2-ethylhexanol 44.91
    isooctanol 28.08
    dipropyl ether 51.07
    1,2-dichlorobenzene 38.86
    ethyl lactate 39.59
    propylene carbonate 81.36
    n-methylformamide 192.06
    2-pentanol 70.28
    n-pentane 16.36
    1-propoxy-2-propanol 113.81
    1-methoxy-2-propyl acetate 50.25
    2-(2-methoxypropoxy) propanol 78.33
    mesitylene 7.65
    ε-caprolactone 89.71
    p-cymene 15.58
    epichlorohydrin 124.0
    1,1,1-trichloroethane 91.91
    2-aminoethanol 318.5
    morpholine-4-carbaldehyde 165.92
    sulfolane 199.5
    2,2,4-trimethylpentane 5.83
    2-methyltetrahydrofuran 100.13
    n-hexyl acetate 40.55
    isooctane 3.79
    2-(2-butoxyethoxy)ethanol 108.33
    sec-butyl acetate 19.92
    tert-butyl acetate 25.49
    decalin 6.39
    glycerin 299.37
    diglyme 163.0
    acrylic acid 320.01
    isopropyl myristate 17.68
    n-butyric acid 183.6
    acetyl acetate 47.74
    di(2-ethylhexyl) phthalate 26.33
    ethyl propionate 33.23
    nitromethane 354.96
    1,2-diethoxyethane 59.87
    benzonitrile 48.8
    trioctyl phosphate 18.84
    1-bromopropane 60.33
    gamma-valerolactone 161.35
    n-decanol 24.57
    triethyl phosphate 23.74
    4-methyl-2-pentanol 26.32
    propionitrile 94.13
    vinylene carbonate 84.31
    1,1,2-trichlorotrifluoroethane 244.84
    DMS 40.87
    cumene 9.1
    2-octanol 22.08
    2-hexanone 34.91
    octyl acetate 25.19
    limonene 25.62
    1,2-dimethoxyethane 110.42
    ethyl orthosilicate 23.92
    tributyl phosphate 22.79
    diacetone alcohol 55.09
    N,N-dimethylaniline 23.66
    acrylonitrile 133.32
    aniline 59.99
    1,3-propanediol 256.29
    bromobenzene 31.34
    dibromomethane 151.68
    1,1,2,2-tetrachloroethane 169.73
    2-methyl-cyclohexyl acetate 34.42
    tetrabutyl urea 31.16
    diisobutyl methanol 23.21
    2-phenylethanol 48.34
    styrene 15.84
    dioctyl adipate 33.85
    dimethyl sulfate 52.39
    ethyl butyrate 41.06
    methyl lactate 68.75
    butyl lactate 43.53
    diethyl carbonate 28.52
    propanediol butyl ether 101.81
    triethyl orthoformate 31.65
    p-tert-butyltoluene 15.15
    methyl 4-tert-butylbenzoate 40.55
    morpholine 184.28
    tert-butylamine 80.63
    n-dodecanol 19.95
    dimethoxymethane 82.81
    ethylene carbonate 61.64
    cyrene 60.02
    2-ethoxyethyl acetate 44.6
    2-ethylhexyl acetate 30.14
    1,2,4-trichlorobenzene 52.69
    4-methylpyridine 64.35
    dibutyl ether 29.4
    2,6-dimethyl-4-heptanol 23.21
    DEF 70.94
    dimethyl isosorbide 84.11
    tetrachloroethylene 145.23
    eugenol 52.52
    triacetin 57.28
    span 80 86.43
    1,4-butanediol 106.83
    1,1-dichloroethane 103.44
    2-methyl-1-pentanol 41.87
    methyl formate 111.68
    2-methyl-1-butanol 82.73
    n-decane 6.69
    butyronitrile 74.88
    3,7-dimethyl-1-octanol 32.62
    1-chlorooctane 18.93
    1-chlorotetradecane 9.1
    n-nonane 6.65
    undecane 5.17
    tert-butylcyclohexane 6.35
    cyclooctane 5.82
    cyclopentanol 137.94
    tetrahydropyran 109.27
    tert-amyl methyl ether 30.0
    2,5,8-trioxanonane 124.31
    1-hexene 29.21
    2-isopropoxyethanol 69.52
    2,2,2-trifluoroethanol 226.56
    methyl butyrate 45.04

    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