Diallyl ether

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  • Identifiers

    CAS number
    557-40-4

    Molecular formula
    C6H10O

    SMILES
    C=CCOCC=C

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Pungent 59.79%
    Ethereal 54.29%
    Fruity 51.59%
    Alliaceous 49.47%
    Sharp 45.99%
    Fresh 36.97%
    Gassy 32.6%
    Onion 32.31%
    Green 31.99%
    Garlic 31.29%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -6 °C

    Boiling point

    • 94 °C

    Flash point est.
    -6.79 ˚C

    Flash point expt.

    • 20 °F (NFPA, 2010)
    • -6 °C

    Solubility expt.

    • Solubility in water: none

  • Synonyms

    • ALLYL ETHER
    • Diallyl ether
    • 557-40-4
    • Allylether
    • Ether, diallyl
    • 1-Propene, 3,3'-oxybis-
    • Ether, propenyl
    • 3-prop-2-enoxyprop-1-ene
    • 3,3'-Oxybis(1-propene)
    • UNII-GI3WXY29NQ
    • GI3WXY29NQ
    • NSC 7619
    • EINECS 209-174-4
    • 3-(prop-2-en-1-yloxy)prop-1-ene
    • BRN 1736015
    • AI3-02894
    • NSC-7619
    • ALLYL ETHER [MI]
    • 3,3'-oxybis(prop-1-ene)
    • (CH2=CHCH2)2O
    • DTXSID8060321
    • 4-01-00-02086 (Beilstein Handbook Reference)
    • UN 2360
    • Diallylether
    • 3-(allyloxy)prop-1-ene
    • Bis(allyl) ether
    • 71586-81-7
    • 3-allyloxyprop-1-ene
    • UN2360
    • 3-(Allyloxy)-1-propene
    • monoallyl ether
    • 3-(2-Propenoxy)-1-propene
    • 3,3'-Oxybis-1-propene; 3-(2-Propenoxy)-1-propene3-(Allyloxy)-1-propene; 4-Oxahepta-1,6-dieneDiallyl Ether
    • MFCD00008650
    • Allyl ether, 98%
    • Allyl ether (8CI)
    • 1-Propene,3'-oxybis-
    • 3-prop-2-enoxy-1-propene
    • Allyl ether (Diallyl ether)
    • 3-(Allyloxy)-1-propene #
    • WLN: 1U2O2U1
    • 4-OXAHEPTA-1,6-DIENE
    • DTXCID4041941
    • NSC7619
    • 3,3'-OXYBIS-1-PROPENE
    • STL453702
    • AKOS015903336
    • DB-022434
    • A0229
    • Diallylether [UN2360] [Flammable liquid]
    • NS00033377
    • EN300-94926
    • D88230
    • A830779
    • Q2001786

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.96
    methanol 217.69
    isopropanol 173.09
    water 0.64
    ethyl acetate 176.75
    n-propanol 195.24
    acetone 179.81
    n-butanol 224.09
    acetonitrile 226.34
    DMF 180.51
    toluene 133.53
    isobutanol 144.12
    1,4-dioxane 315.58
    methyl acetate 179.68
    THF 480.64
    2-butanone 202.47
    n-pentanol 157.54
    sec-butanol 195.85
    n-hexane 158.48
    ethylene glycol 45.58
    NMP 264.45
    cyclohexane 251.43
    DMSO 258.22
    n-butyl acetate 302.83
    n-octanol 130.89
    chloroform 785.16
    n-propyl acetate 166.42
    acetic acid 256.2
    dichloromethane 678.53
    cyclohexanone 309.86
    propylene glycol 65.37
    isopropyl acetate 94.38
    DMAc 178.27
    2-ethoxyethanol 168.09
    isopentanol 167.51
    n-heptane 279.19
    ethyl formate 144.3
    1,2-dichloroethane 311.03
    n-hexanol 266.65
    2-methoxyethanol 232.03
    isobutyl acetate 98.12
    tetrachloromethane 205.47
    n-pentyl acetate 135.25
    transcutol 469.55
    n-heptanol 120.03
    ethylbenzene 92.74
    MIBK 84.42
    2-propoxyethanol 247.42
    tert-butanol 214.57
    MTBE 176.97
    2-butoxyethanol 147.48
    propionic acid 176.23
    o-xylene 92.76
    formic acid 54.25
    diethyl ether 226.27
    m-xylene 79.42
    p-xylene 122.98
    chlorobenzene 192.87
    dimethyl carbonate 42.63
    n-octane 64.19
    formamide 65.63
    cyclopentanone 302.37
    2-pentanone 151.41
    anisole 142.4
    cyclopentyl methyl ether 235.68
    gamma-butyrolactone 323.11
    1-methoxy-2-propanol 161.44
    pyridine 311.68
    3-pentanone 131.59
    furfural 288.81
    n-dodecane 38.77
    diethylene glycol 145.49
    diisopropyl ether 71.37
    tert-amyl alcohol 201.89
    acetylacetone 115.21
    n-hexadecane 42.26
    acetophenone 135.91
    methyl propionate 116.85
    isopentyl acetate 195.18
    trichloroethylene 542.08
    n-nonanol 114.93
    cyclohexanol 227.15
    benzyl alcohol 115.4
    2-ethylhexanol 217.5
    isooctanol 94.33
    dipropyl ether 329.36
    1,2-dichlorobenzene 173.82
    ethyl lactate 82.12
    propylene carbonate 211.79
    n-methylformamide 107.37
    2-pentanol 154.15
    n-pentane 150.83
    1-propoxy-2-propanol 230.46
    1-methoxy-2-propyl acetate 142.61
    2-(2-methoxypropoxy) propanol 155.59
    mesitylene 54.93
    ε-caprolactone 263.3
    p-cymene 103.89
    epichlorohydrin 334.58
    1,1,1-trichloroethane 364.87
    2-aminoethanol 88.08
    morpholine-4-carbaldehyde 244.84
    sulfolane 341.8
    2,2,4-trimethylpentane 49.6
    2-methyltetrahydrofuran 417.32
    n-hexyl acetate 188.9
    isooctane 34.17
    2-(2-butoxyethoxy)ethanol 184.24
    sec-butyl acetate 102.09
    tert-butyl acetate 91.15
    decalin 72.18
    glycerin 81.38
    diglyme 351.56
    acrylic acid 149.75
    isopropyl myristate 95.4
    n-butyric acid 243.86
    acetyl acetate 104.27
    di(2-ethylhexyl) phthalate 83.27
    ethyl propionate 131.09
    nitromethane 231.94
    1,2-diethoxyethane 250.16
    benzonitrile 176.42
    trioctyl phosphate 66.11
    1-bromopropane 344.97
    gamma-valerolactone 289.67
    n-decanol 88.36
    triethyl phosphate 113.67
    4-methyl-2-pentanol 75.62
    propionitrile 211.04
    vinylene carbonate 191.15
    1,1,2-trichlorotrifluoroethane 245.21
    DMS 106.81
    cumene 70.34
    2-octanol 86.91
    2-hexanone 170.51
    octyl acetate 117.04
    limonene 179.16
    1,2-dimethoxyethane 319.45
    ethyl orthosilicate 116.33
    tributyl phosphate 89.52
    diacetone alcohol 104.89
    N,N-dimethylaniline 109.03
    acrylonitrile 196.74
    aniline 133.64
    1,3-propanediol 128.19
    bromobenzene 206.86
    dibromomethane 568.01
    1,1,2,2-tetrachloroethane 437.33
    2-methyl-cyclohexyl acetate 176.98
    tetrabutyl urea 113.89
    diisobutyl methanol 116.03
    2-phenylethanol 123.2
    styrene 122.12
    dioctyl adipate 147.12
    dimethyl sulfate 67.14
    ethyl butyrate 254.81
    methyl lactate 67.21
    butyl lactate 105.11
    diethyl carbonate 168.62
    propanediol butyl ether 115.42
    triethyl orthoformate 177.19
    p-tert-butyltoluene 92.67
    methyl 4-tert-butylbenzoate 122.98
    morpholine 344.29
    tert-butylamine 186.07
    n-dodecanol 75.37
    dimethoxymethane 122.65
    ethylene carbonate 151.77
    cyrene 127.05
    2-ethoxyethyl acetate 133.53
    2-ethylhexyl acetate 182.87
    1,2,4-trichlorobenzene 191.47
    4-methylpyridine 258.71
    dibutyl ether 227.91
    2,6-dimethyl-4-heptanol 116.03
    DEF 174.74
    dimethyl isosorbide 242.79
    tetrachloroethylene 325.59
    eugenol 122.24
    triacetin 155.62
    span 80 165.91
    1,4-butanediol 68.77
    1,1-dichloroethane 347.5
    2-methyl-1-pentanol 141.51
    methyl formate 81.87
    2-methyl-1-butanol 168.03
    n-decane 62.52
    butyronitrile 256.35
    3,7-dimethyl-1-octanol 127.5
    1-chlorooctane 134.4
    1-chlorotetradecane 61.91
    n-nonane 72.49
    undecane 46.93
    tert-butylcyclohexane 66.81
    cyclooctane 83.74
    cyclopentanol 224.49
    tetrahydropyran 428.97
    tert-amyl methyl ether 154.38
    2,5,8-trioxanonane 252.45
    1-hexene 245.33
    2-isopropoxyethanol 125.2
    2,2,2-trifluoroethanol 65.9
    methyl butyrate 196.33

    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