Diphenyl ether

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    101-84-8

    Molecular formula
    C12H10O

    SMILES
    C1=CC=C(C=C1)OC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1991.0

  • Odor profile

    Floral 80.87%
    Green 76.81%
    Rose 75.4%
    Metallic 65.8%
    Geranium 63.58%
    Phenolic 44.09%
    Leafy 43.69%
    Fruity 37.94%
    Hyacinth 35.39%
    Earthy 30.2%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.0012 [mmHg]. Reported odor threshold
    • 0.1 ppm

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 80.3 °F (NTP, 1992)
    • 26.865 °C
    • 37 - 39 °C
    • 28 °C
    • 82 °F

    Boiling point

    • 496.27 °F at 760 mmHg (NTP, 1992)
    • 258 °C
    • 258.00 to 259.00 °C. @ 760.00 mm Hg
    • 257 °C
    • 498 °F

    Flash point est.
    107.86 ˚C

    Flash point expt.

    • 239 °F (NTP, 1992)
    • [ACGIH] 115 °C
    • 239 °F (115 °C) (Closed cup)
    • 115 °C (Closed cup); 96.11 °C (Open cup)
    • 115 °C c.c.
    • 239 °F

    Solubility expt.

    • Insoluble (NTP, 1992)
    • In water, 18 mg/L at 25 °C
    • Soluble in ethanol, ether, benzene, acetic acid; slightly soluble in chloroform
    • 0.018 mg/mL at 25 °C
    • Solubility in water, g/100ml: 0.002 (very poor)
    • Insoluble in water, soluble in oils
    • soluble (in ethanol)
    • Insoluble

  • Synonyms

    • DIPHENYL ETHER
    • Diphenyl oxide
    • 101-84-8
    • Phenyl ether
    • Phenoxybenzene
    • Benzene, 1,1'-oxybis-
    • Oxydibenzene
    • Phenyl oxide
    • Diphenylether
    • Oxybisbenzene
    • 1,1'-oxydibenzene
    • Biphenyl oxide
    • Oxydiphenyl
    • Geranium crystals
    • Ether, diphenyl-
    • Chemcryl JK-EB
    • Benzene, phenoxy-
    • Phenyl ether, vapor
    • 1,1'-Oxybis(benzene)
    • 1,1'-Oxybisbenzene
    • Ether, diphenyl
    • Diphenylaether
    • Diphenyloxid
    • FEMA No. 3667
    • NSC 19311
    • CCRIS 5912
    • HSDB 934
    • phenoxy-benzene
    • 1-Phenoxybenzene
    • EINECS 202-981-2
    • UNII-3O695R5M1U
    • BRN 1364620
    • DTXSID9021847
    • CHEBI:39258
    • 1,1'-oxybis-benzene
    • AI3-00749
    • 3O695R5M1U
    • MFCD00003034
    • NSC-19311
    • DIPHENYL-D10 ETHER
    • DTXCID701847
    • EC 202-981-2
    • 4-06-00-00568 (Beilstein Handbook Reference)
    • 32576-61-7
    • diphenyloxide
    • diphenyl-ether
    • CAS-101-84-8
    • PROPOFOL IMPURITY I (EP IMPURITY)
    • PROPOFOL IMPURITY I [EP IMPURITY]
    • diphenyether
    • phenylether
    • di-phenyl ether
    • 4-phenoxybenzene
    • PhOPh
    • 1-phenoxy benzene
    • Phenyl ether, fume
    • 1,1-Oxybisbenzene
    • (4-Phenoxy)benzene
    • Phenyl ether, 8CI
    • Benzene,1'-oxybis-
    • Ph2O
    • Phenyl ether (8CI)
    • WLN: ROR
    • DIPHENYL ETHER [MI]
    • 1,1'-Oxybisbenzene, 9CI
    • SCHEMBL12286
    • DIPHENYL ETHER [FCC]
    • CHEMBL38934
    • DIPHENYL ETHER [FHFI]
    • DIPHENYL ETHER [HSDB]
    • Diphenyl ether, >=99%, FG
    • FEMA 3667
    • HY-Y0339
    • NSC19311
    • STR00684
    • Tox21_202277
    • Tox21_302777
    • NSC174083
    • STL199168
    • AKOS000120215
    • Diphenyl ether, ReagentPlus(R), 99%
    • NSC-174083
    • NCGC00091303-01
    • NCGC00091303-02
    • NCGC00091303-03
    • NCGC00256450-01
    • NCGC00259826-01
    • Diphenyl ether, ReagentPlus(R), >=99%
    • CS-0015060
    • NS00010729
    • P0177
    • Diphenyl ether, SAJ first grade, >=98.0%
    • Diphenyl ether, Selectophore(TM), >=99.9%
    • EN300-18028
    • D78034
    • Diphenyl ether, Vetec(TM) reagent grade, 98%
    • A800474
    • Q419453
    • F1908-0183
    • InChI=1/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10
    • 202-981-2

  • Applications

    Diphenyl ether, also known as diphenyl oxide (CAS 101-84-8), is valued for its high boiling point, chemical inertness and soft, powdery odour, leading to a broad spectrum of uses: it is the core component of the Dowtherm A eutectic heat-transfer fluid employed in solar thermal collectors, petroleum distillation columns and chemical reactors; it serves as a high-temperature solvent for pharmaceutical recrystallisation, specialty printing inks, hot-melt adhesives, heat-resistant lubricants and molten-salt baths; it is an intermediate in the manufacture of phenoxy resins, poly(aryl ether ketone)s, polyimide films, liquid-crystal polymers and UV stabilisers; bromination converts it to decabromodiphenyl ether and related flame-retardant additives widely used in electronic and construction plastics; in fragrance formulation its mild floral note acts as a masking agent in soaps, detergents, household cleaners, air fresheners, cosmetics and deodorants; the molecule is also a precursor for non-ionic surfactants, herbicides, pharmaceutical and agrochemical actives, an analytical reference standard for gas chromatography and a hydrotrope to stabilise difficult emulsions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.45
    methanol 135.37
    isopropanol 207.78
    water 0.45
    ethyl acetate 1118.53
    n-propanol 252.19
    acetone 1161.54
    n-butanol 249.44
    acetonitrile 852.26
    DMF 935.41
    toluene 453.04
    isobutanol 198.5
    1,4-dioxane 1348.19
    methyl acetate 935.68
    THF 1953.71
    2-butanone 983.63
    n-pentanol 190.63
    sec-butanol 232.61
    n-hexane 235.89
    ethylene glycol 45.63
    NMP 762.0
    cyclohexane 315.79
    DMSO 1125.55
    n-butyl acetate 781.69
    n-octanol 232.05
    chloroform 3636.25
    n-propyl acetate 734.13
    acetic acid 431.9
    dichloromethane 3960.79
    cyclohexanone 1291.36
    propylene glycol 73.01
    isopropyl acetate 539.07
    DMAc 871.49
    2-ethoxyethanol 284.88
    isopentanol 219.64
    n-heptane 179.8
    ethyl formate 643.74
    1,2-dichloroethane 2128.51
    n-hexanol 221.57
    2-methoxyethanol 415.21
    isobutyl acetate 418.71
    tetrachloromethane 354.48
    n-pentyl acetate 427.76
    transcutol 1287.49
    n-heptanol 142.35
    ethylbenzene 362.34
    MIBK 411.21
    2-propoxyethanol 308.37
    tert-butanol 239.77
    MTBE 404.52
    2-butoxyethanol 240.45
    propionic acid 385.88
    o-xylene 260.93
    formic acid 65.36
    diethyl ether 811.53
    m-xylene 228.59
    p-xylene 435.92
    chlorobenzene 823.95
    dimethyl carbonate 433.59
    n-octane 82.45
    formamide 214.81
    cyclopentanone 1544.3
    2-pentanone 808.64
    anisole 648.76
    cyclopentyl methyl ether 719.72
    gamma-butyrolactone 1758.41
    1-methoxy-2-propanol 351.55
    pyridine 1483.24
    3-pentanone 757.74
    furfural 1159.6
    n-dodecane 60.2
    diethylene glycol 174.33
    diisopropyl ether 226.45
    tert-amyl alcohol 239.36
    acetylacetone 950.06
    n-hexadecane 70.45
    acetophenone 601.12
    methyl propionate 778.02
    isopentyl acetate 530.16
    trichloroethylene 3593.09
    n-nonanol 206.67
    cyclohexanol 302.28
    benzyl alcohol 283.3
    2-ethylhexanol 234.42
    isooctanol 131.18
    dipropyl ether 630.51
    1,2-dichlorobenzene 720.1
    ethyl lactate 226.55
    propylene carbonate 1032.1
    n-methylformamide 399.13
    2-pentanol 209.9
    n-pentane 105.55
    1-propoxy-2-propanol 305.04
    1-methoxy-2-propyl acetate 453.42
    2-(2-methoxypropoxy) propanol 306.21
    mesitylene 161.7
    ε-caprolactone 1057.49
    p-cymene 183.39
    epichlorohydrin 1859.69
    1,1,1-trichloroethane 1581.02
    2-aminoethanol 100.13
    morpholine-4-carbaldehyde 810.25
    sulfolane 1545.82
    2,2,4-trimethylpentane 47.03
    2-methyltetrahydrofuran 1162.91
    n-hexyl acetate 681.04
    isooctane 39.62
    2-(2-butoxyethoxy)ethanol 398.23
    sec-butyl acetate 434.29
    tert-butyl acetate 443.32
    decalin 141.03
    glycerin 97.6
    diglyme 954.08
    acrylic acid 348.36
    isopropyl myristate 278.33
    n-butyric acid 597.72
    acetyl acetate 712.52
    di(2-ethylhexyl) phthalate 165.07
    ethyl propionate 711.4
    nitromethane 1030.9
    1,2-diethoxyethane 758.93
    benzonitrile 569.58
    trioctyl phosphate 131.33
    1-bromopropane 1107.43
    gamma-valerolactone 1250.74
    n-decanol 152.46
    triethyl phosphate 266.49
    4-methyl-2-pentanol 124.6
    propionitrile 641.96
    vinylene carbonate 944.69
    1,1,2-trichlorotrifluoroethane 800.83
    DMS 574.08
    cumene 210.33
    2-octanol 135.08
    2-hexanone 630.23
    octyl acetate 315.01
    limonene 254.32
    1,2-dimethoxyethane 1021.27
    ethyl orthosilicate 230.15
    tributyl phosphate 203.62
    diacetone alcohol 359.54
    N,N-dimethylaniline 376.14
    acrylonitrile 778.72
    aniline 388.11
    1,3-propanediol 166.72
    bromobenzene 1033.19
    dibromomethane 2533.91
    1,1,2,2-tetrachloroethane 2619.54
    2-methyl-cyclohexyl acetate 385.63
    tetrabutyl urea 257.62
    diisobutyl methanol 154.28
    2-phenylethanol 241.58
    styrene 536.82
    dioctyl adipate 390.61
    dimethyl sulfate 518.54
    ethyl butyrate 705.87
    methyl lactate 227.0
    butyl lactate 248.9
    diethyl carbonate 529.13
    propanediol butyl ether 202.29
    triethyl orthoformate 407.43
    p-tert-butyltoluene 159.42
    methyl 4-tert-butylbenzoate 373.09
    morpholine 1056.82
    tert-butylamine 184.91
    n-dodecanol 124.46
    dimethoxymethane 679.31
    ethylene carbonate 814.04
    cyrene 257.01
    2-ethoxyethyl acetate 468.0
    2-ethylhexyl acetate 448.54
    1,2,4-trichlorobenzene 772.91
    4-methylpyridine 1016.2
    dibutyl ether 690.11
    2,6-dimethyl-4-heptanol 154.28
    DEF 881.67
    dimethyl isosorbide 530.08
    tetrachloroethylene 1516.52
    eugenol 296.73
    triacetin 541.26
    span 80 270.69
    1,4-butanediol 71.52
    1,1-dichloroethane 1773.7
    2-methyl-1-pentanol 191.09
    methyl formate 428.05
    2-methyl-1-butanol 214.47
    n-decane 106.9
    butyronitrile 632.18
    3,7-dimethyl-1-octanol 210.01
    1-chlorooctane 361.29
    1-chlorotetradecane 131.76
    n-nonane 117.36
    undecane 76.54
    tert-butylcyclohexane 109.41
    cyclooctane 114.73
    cyclopentanol 360.81
    tetrahydropyran 1316.92
    tert-amyl methyl ether 317.54
    2,5,8-trioxanonane 579.1
    1-hexene 509.13
    2-isopropoxyethanol 214.36
    2,2,2-trifluoroethanol 175.17
    methyl butyrate 978.93

    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

Botanical

Name CAS Botanical Proportion
Lilac headspace Syringa vulgaris L., fam. Oleaceae 0.1%