Dibenzyl ether

  • Identifiers

    CAS number
    103-50-4

    Molecular formula
    C14H14O

    SMILES
    C1=CC=C(C=C1)COCC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 89.62%
    Sweet 69.36%
    Rose 58.82%
    Almond 53.34%
    Green 51.66%
    Floral 49.23%
    Earthy 46.17%
    Balsamic 38.16%
    Mushroom 37.98%
    Cherry 37.87%

     

    Flavor
    Fruity 79.93%
    Sweet 73.8%
    Rose 63.28%
    Floral 55.66%
    Cherry 54.47%
    Almond 52.14%
    Earthy 43.19%
    Chocolate 41.2%
    Balsam 40.24%
    Pineapple 39.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    5.62 (weak acid)

    Molecular weight
    198.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 38.3 °F (NTP, 1992)
    • 3.6 °C
    • Heat of Fusion at melting point = 2.0209X10+7 J/kmol
    • 3 - 4 °C

    Boiling point

    • 568 °F at 760 mmHg (decomposes) (NTP, 1992)
    • 295-298 °C WITH DECOMP
    • 295.00 to 298.00 °C. @ 760.00 mm Hg

    Flash point

    • 131.05 ˚C est.
    • 275 °F (NTP, 1992)
    • 135 °C
    • 275 DEG (135 °C) (CLOSED CUP)

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • PRACTICALLY INSOL IN WATER; MISCIBLE WITH ETHANOL, ETHER, CHLOROFORM, ACETONE
    • Water solubility = 40 mg/L at 35 °C
    • 0.04 mg/mL at 35 °C
    • Insoluble in water, miscible in oils
    • soluble (in ethanol)

  • Synonyms

    • Benzyl ether
    • DIBENZYL ETHER
    • 103-50-4
    • Benzyl oxide
    • Dibenzylether
    • (Oxybis(methylene))dibenzene
    • Plastikator BA
    • BA (plasticizer)
    • phenylmethoxymethylbenzene
    • Plasticator BA
    • Ether, dibenzyl
    • Dibenzylether [Czech]
    • Benzyl oxide [Czech]
    • FEMA No. 2371
    • FEMA Number 2371
    • [(Benzyloxy)methyl]benzene
    • 1,1-Oxybismethylene, bis benzene
    • Benzene, 1,1'-[oxybis(methylene)]bis-
    • 1,1-(Oxybis(methylene))bisbenzene
    • CCRIS 6085
    • HSDB 6030
    • Benzene, 1,1'-(oxybis(methylene))bis-
    • Benzene, 1,1'-oxybis(methylene-
    • 1,1-Oxybis methylene, bis benzene
    • NSC 5931
    • 1,1'-[oxybis(methylene)]dibenzene
    • EINECS 203-118-2
    • 1,1'-(Oxybis(methylene))bisbenzene
    • 2O6CNO27RJ
    • BRN 1911156
    • DTXSID5025819
    • ETHER,DIBENZYL
    • CHEBI:87411
    • AI3-02269
    • NSC-5931
    • BENZYL ETHER [MI]
    • DIBENZYL ETHER [FCC]
    • DIBENZYL ETHER [FHFI]
    • DIBENZYL ETHER [HSDB]
    • DTXCID005819
    • EC 203-118-2
    • 4-06-00-02240 (Beilstein Handbook Reference)
    • benzylether
    • TRIBENOSIDE IMPURITY D [EP IMPURITY]
    • ((Benzyloxy)methyl)benzene
    • BENZYL OXIDE (CZECH)
    • DIBENZYLETHER (CZECH)
    • 1,1'-(oxybis(methylene))dibenzene
    • BA (VAN)
    • TRIBENOSIDE IMPURITY D (EP IMPURITY)
    • Tribenoside impurity D
    • 1,1'-(OXYBIS(METHYLENE)) BIS BENZENE
    • 1,1'-[OXYBIS(METHYLENE)] BIS BENZENE
    • UNII-2O6CNO27RJ
    • benzyl ethers
    • benzylic ether
    • benzylic ethers
    • dibenzyl ester
    • mono-benzyl ether
    • Benzyl ether, 8CI
    • MFCD00004780
    • Benzyl ether, 98%
    • Bn2O
    • phenylmethoxy-methyl-benzene
    • WLN: R1O1R
    • SCHEMBL27380
    • MLS001050086
    • [(Benzyloxy)methyl]benzene #
    • BIDD:ER0268
    • CHEMBL152299
    • 1,1Oxybismethylene, bis benzene
    • CHEBI:59859
    • FEMA 2371
    • NSC5931
    • Dibenzyl ether, analytical standard
    • 1,1'(Oxybis(methylene))bisbenzene
    • Tox21_200903
    • Benzene,1'-[oxybis(methylene)]bis-
    • Benzyl ether, >=98%, FCC, FG
    • 1-benzyloxymethylbenzene(benzyl ether)
    • AKOS015914994
    • Benzene, 1,1'(oxybis(methylene))bis
    • CS-W010535
    • Benzene, 1,1'-oxybis(methylene-(9CI)
    • NCGC00091363-01
    • NCGC00091363-02
    • NCGC00258457-01
    • BS-14196
    • CAS-103-50-4
    • SMR001216521
    • Dibenzyl ether, purum, >=98.0% (GC)
    • 1,1'-[Oxybis(methylene)]bisbenzene, 9CI
    • B0418
    • NS00004227
    • A800755
    • Q11309584
    • Tribenoside impurity D, European Pharmacopoeia (EP) Reference Standard
    • 203-118-2
    • 220-899-5
  • Applications

    Dibenzyl ether (CAS 103-50-4) is primarily used as a high-boiling organic solvent for coatings, inks, and adhesives; it also serves as a processing aid for polymer and resin formulations; it functions as a reaction medium or intermediate in organic synthesis for preparing benzyl-containing compounds; it can be used as a specialty cleaning solvent for compatible substrates; its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.34
    methanol 16.12
    isopropanol 14.05
    water 0.13
    ethyl acetate 178.81
    n-propanol 21.04
    acetone 81.87
    n-butanol 25.11
    acetonitrile 75.21
    DMF 55.86
    toluene 106.62
    isobutanol 16.54
    1,4-dioxane 261.34
    methyl acetate 102.03
    THF 379.84
    2-butanone 94.97
    n-pentanol 25.55
    sec-butanol 19.24
    n-hexane 36.79
    ethylene glycol 4.98
    NMP 64.38
    cyclohexane 65.32
    DMSO 90.82
    n-butyl acetate 149.85
    n-octanol 20.85
    chloroform 708.0
    n-propyl acetate 123.86
    acetic acid 76.17
    dichloromethane 709.79
    cyclohexanone 169.1
    propylene glycol 8.38
    isopropyl acetate 113.03
    DMAc 90.6
    2-ethoxyethanol 61.03
    isopentanol 29.29
    n-heptane 45.73
    ethyl formate 80.3
    1,2-dichloroethane 473.04
    n-hexanol 38.9
    2-methoxyethanol 56.45
    isobutyl acetate 95.97
    tetrachloromethane 64.78
    n-pentyl acetate 68.29
    transcutol 392.85
    n-heptanol 23.82
    ethylbenzene 93.57
    MIBK 85.62
    2-propoxyethanol 70.38
    tert-butanol 29.34
    MTBE 62.57
    2-butoxyethanol 51.99
    propionic acid 45.4
    o-xylene 71.83
    formic acid 13.12
    diethyl ether 130.96
    m-xylene 68.62
    p-xylene 90.74
    chlorobenzene 155.41
    dimethyl carbonate 63.4
    n-octane 15.86
    formamide 30.35
    cyclopentanone 179.95
    2-pentanone 93.56
    anisole 165.06
    cyclopentyl methyl ether 130.45
    gamma-butyrolactone 231.78
    1-methoxy-2-propanol 47.98
    pyridine 236.45
    3-pentanone 101.18
    furfural 229.67
    n-dodecane 9.21
    diethylene glycol 39.53
    diisopropyl ether 56.96
    tert-amyl alcohol 30.26
    acetylacetone 167.09
    n-hexadecane 10.85
    acetophenone 139.16
    methyl propionate 93.16
    isopentyl acetate 142.9
    trichloroethylene 729.12
    n-nonanol 23.23
    cyclohexanol 39.71
    benzyl alcohol 61.97
    2-ethylhexanol 48.89
    isooctanol 25.34
    dipropyl ether 178.0
    1,2-dichlorobenzene 178.18
    ethyl lactate 51.27
    propylene carbonate 178.66
    n-methylformamide 32.73
    2-pentanol 22.39
    n-pentane 18.2
    1-propoxy-2-propanol 73.57
    1-methoxy-2-propyl acetate 137.26
    2-(2-methoxypropoxy) propanol 88.85
    mesitylene 56.36
    ε-caprolactone 160.06
    p-cymene 61.33
    epichlorohydrin 359.81
    1,1,1-trichloroethane 314.62
    2-aminoethanol 11.37
    morpholine-4-carbaldehyde 129.73
    sulfolane 214.5
    2,2,4-trimethylpentane 14.07
    2-methyltetrahydrofuran 170.66
    n-hexyl acetate 76.18
    isooctane 12.93
    2-(2-butoxyethoxy)ethanol 103.4
    sec-butyl acetate 104.61
    tert-butyl acetate 127.09
    decalin 39.97
    glycerin 15.66
    diglyme 290.26
    acrylic acid 48.25
    isopropyl myristate 50.59
    n-butyric acid 89.99
    acetyl acetate 148.74
    di(2-ethylhexyl) phthalate 38.29
    ethyl propionate 130.88
    nitromethane 153.36
    1,2-diethoxyethane 209.51
    benzonitrile 96.56
    trioctyl phosphate 23.56
    1-bromopropane 192.91
    gamma-valerolactone 198.76
    n-decanol 19.16
    triethyl phosphate 89.11
    4-methyl-2-pentanol 24.53
    propionitrile 62.27
    vinylene carbonate 157.96
    1,1,2-trichlorotrifluoroethane 165.21
    DMS 102.68
    cumene 66.59
    2-octanol 16.38
    2-hexanone 97.59
    octyl acetate 47.76
    limonene 81.79
    1,2-dimethoxyethane 226.41
    ethyl orthosilicate 84.56
    tributyl phosphate 37.92
    diacetone alcohol 86.67
    N,N-dimethylaniline 108.81
    acrylonitrile 78.14
    aniline 67.95
    1,3-propanediol 20.46
    bromobenzene 197.55
    dibromomethane 440.38
    1,1,2,2-tetrachloroethane 588.89
    2-methyl-cyclohexyl acetate 124.86
    tetrabutyl urea 47.38
    diisobutyl methanol 49.72
    2-phenylethanol 64.57
    styrene 112.78
    dioctyl adipate 83.05
    dimethyl sulfate 83.6
    ethyl butyrate 189.78
    methyl lactate 38.38
    butyl lactate 45.83
    diethyl carbonate 149.07
    propanediol butyl ether 34.05
    triethyl orthoformate 136.42
    p-tert-butyltoluene 57.81
    methyl 4-tert-butylbenzoate 107.84
    morpholine 170.09
    tert-butylamine 25.25
    n-dodecanol 17.42
    dimethoxymethane 100.53
    ethylene carbonate 133.97
    cyrene 79.38
    2-ethoxyethyl acetate 106.56
    2-ethylhexyl acetate 119.18
    1,2,4-trichlorobenzene 182.66
    4-methylpyridine 144.31
    dibutyl ether 98.67
    2,6-dimethyl-4-heptanol 49.72
    DEF 96.41
    dimethyl isosorbide 198.09
    tetrachloroethylene 328.75
    eugenol 81.1
    triacetin 115.79
    span 80 60.51
    1,4-butanediol 11.11
    1,1-dichloroethane 261.77
    2-methyl-1-pentanol 33.21
    methyl formate 43.0
    2-methyl-1-butanol 24.44
    n-decane 15.24
    butyronitrile 72.86
    3,7-dimethyl-1-octanol 33.51
    1-chlorooctane 46.11
    1-chlorotetradecane 22.4
    n-nonane 16.0
    undecane 11.07
    tert-butylcyclohexane 32.97
    cyclooctane 31.45
    cyclopentanol 35.44
    tetrahydropyran 212.29
    tert-amyl methyl ether 60.51
    2,5,8-trioxanonane 192.32
    1-hexene 72.57
    2-isopropoxyethanol 50.92
    2,2,2-trifluoroethanol 31.71
    methyl butyrate 151.21

    Scent© AI

1 of 4
Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
0.00004 % Category 7A
Rinse-off products applied to the hair with some hand contact
0.00093 %
Category 2
Products applied to the axillae
0.0028 % Category 7B
Leave-on products applied to the hair with some hand contact
0.00093 %
Category 3
Products applied to the face/body using fingertips
0.0002 % Category 8
Products with significant anogenital exposure
0.000081 %
Category 4
Products related to fine fragrance
0.012 % Category 9
Products with body and hand exposure, primarily rinse off
0.0037 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
0.0023 % Category 10A
Household care products with mostly hand contact
0.0037 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
0.00024 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
0.0037 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
0.00032 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.000081 %
Category 5D
Baby Creams, baby Oils and baby talc
0.000081 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.000081 %
Category 6
Products with oral and lip exposure
0.0023 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
0.24 %