Methoxyflurane

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  • Identifiers

    CAS number
    76-38-0

    Molecular formula
    C3H4Cl2F2O

    SMILES
    COC(C(Cl)Cl)(F)F

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 52.16%
    Sweet 28.15%
    Woody 24.29%
    Cooling 23.36%
    Fishy 19.99%
    Mint 19.6%
    Savory 18.29%
    Dry 17.23%
    Fresh 16.99%
    Bitter 16.61%

     

    Flavor
    Odorless 37.72%
    Sulfurous 34.72%
    Sulfury 25.18%
    Meaty 23.94%
    Bland 22.52%
    Mild 22.13%
    Roasted 21.7%
    Onion 20.88%
    Sweet-like 20.01%
    Bouillon 19.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.26 (weak acid)

    Molecular weight
    164.96 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -31 °F (NTP, 1992)
    • -35 °C
    • -31 °F

    Boiling point

    • 220.3 °F at 760 mmHg (NTP, 1992)
    • 105 °C
    • BP: 51 °C at 100 mm Hg
    • 220 °F

    Flash point

    • 28.48 ˚C est.
    • 145 °F (NTP, 1992)
    • 145 °F
    • 63 °C

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • 28300 mg/L (at 37 °C)
    • In water, 28,300 mg/L at 37 °C
    • 6.46e+00 g/L
    • Solubility in water, g/100ml at 37 °C: 2.83 (poor)
    • Slight

  • Synonyms

    • methoxyflurane
    • 76-38-0
    • Methoxyfluran
    • Methoflurane
    • Penthrane
    • 2,2-Dichloro-1,1-difluoroethyl methyl ether
    • Metoxfluran
    • Metoxifluran
    • Analgizer
    • Anecotan
    • Inhalan
    • Methoxane
    • Metofane
    • Pentrane
    • 2,2-Dichloro-1,1-difluoro-1-methoxyethane
    • Methofane
    • Pentran
    • Methoxiflurane
    • Methoxifluranum
    • Ingalan
    • Methoxyfluoran
    • Metoxiflurano
    • Methoxyfluorane
    • Methoxyfluranum
    • Metossiflurano [DCIT]
    • Metossiflurano
    • Ethane, 2,2-dichloro-1,1-difluoro-1-methoxy-
    • Methoxyfluranum [INN-Latin]
    • Metoxiflurano [INN-Spanish]
    • NSC-110432
    • Methyl 1,1-difluoro-2,2-dichloroethyl ether
    • Penthrox
    • (2,2-dichloro-1,1-difluoroethyl) methyl ether
    • CCRIS 5840
    • Methoxy flurane
    • HSDB 7201
    • EINECS 200-956-0
    • DA-759
    • Ether, 2,2-dichloro-1,1-difluoroethyl methyl
    • BRN 1737766
    • CHEBI:6843
    • DTXSID7025556
    • UNII-30905R8O7B
    • 30905R8O7B
    • DTXCID405556
    • Methofluranum
    • 2,2-DICHLORO-1,1-DIFLUOROETHYLMETHYLETHER
    • Methoxyflurane [USAN:USP:INN:BAN]
    • NSC110432
    • Penthrane (VAN)
    • Metofane (VAN)
    • NCGC00168747-01
    • Methoxyfluranum (INN-Latin)
    • Metoxiflurano (INN-Spanish)
    • METHOXYFLURANE (MART.)
    • METHOXYFLURANE [MART.]
    • METHOXYFLURANE (USP-RS)
    • METHOXYFLURANE [USP-RS]
    • Methoxyflurane (USAN:USP:INN:BAN)
    • METHOXYFLURANE (USP MONOGRAPH)
    • METHOXYFLURANE [USP MONOGRAPH]
    • Penthrane (TN)
    • Methoxyflurane (USP/INN)
    • Methoxyflurane [Anaesthetics, volatile]
    • WLN: GYGXFFO1
    • METHOXYFLURANE [MI]
    • CHEMBL1341
    • METHOXYFLURANE [INN]
    • METHOXYFLURANE [HSDB]
    • METHOXYFLURANE [USAN]
    • METHOXY FLURANE [JAN]
    • METHOXYFLURANE [VANDF]
    • SCHEMBL121229
    • 2,1-difluoro-1-methoxyethane
    • 2,1-difluoroethyl methyl ether
    • GTPL7234
    • METHOXYFLURANE [WHO-DD]
    • N02BG09
    • DA759
    • METHOXYFLURANE [GREEN BOOK]
    • HY-B0718
    • Tox21_112626
    • MFCD00040144
    • AKOS006228995
    • DB01028
    • KS-5167
    • CAS-76-38-0
    • Ether,2-dichloro-1,1-difluoroethyl methyl
    • DB-019611
    • CS-0009624
    • Ethane,2-dichloro-1,1-difluoro-1-methoxy-
    • NS00041004
    • 1,1-Difluoro-2,2-dichloroethyl methyl ether
    • C07517
    • D00544
    • Q411594
    • SR-01000944693
    • SR-01000944693-1
    • BRD-K06152156-001-01-8
    • Z1201617823
    • 200-956-0

  • Applications

    Methoxyflurane (CAS 76-38-0) is a volatile inhalational anesthetic agent that has also been used as an analgesic in certain clinical settings. In medicine, it has been employed for induction and maintenance of anesthesia, and in prehospital care as an inhaled analgesic delivered by a handheld device (for example Penthrox) to relieve acute pain. It is used in some veterinary contexts for anesthesia and analgesia. In research and pharmacology, methoxyflurane has served as a reference inhalational anesthetic and as a teaching tool for studying anesthetic pharmacokinetics and pharmacodynamics. Its use is governed by safety considerations and regulatory controls due to potential nephrotoxicity and hepatotoxicity, and should be limited to professional formulation and use per local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 813.51
    methanol 1285.65
    isopropanol 583.74
    water 122.03
    ethyl acetate 439.81
    n-propanol 495.58
    acetone 1478.65
    n-butanol 445.15
    acetonitrile 1007.34
    DMF 2221.73
    toluene 189.38
    isobutanol 377.98
    1,4-dioxane 813.14
    methyl acetate 579.07
    THF 1021.87
    2-butanone 649.06
    n-pentanol 358.17
    sec-butanol 466.74
    n-hexane 109.71
    ethylene glycol 360.83
    NMP 1325.4
    cyclohexane 133.52
    DMSO 2720.29
    n-butyl acetate 201.37
    n-octanol 175.9
    chloroform 746.54
    n-propyl acetate 356.17
    acetic acid 916.43
    dichloromethane 984.03
    cyclohexanone 579.24
    propylene glycol 213.57
    isopropyl acetate 274.55
    DMAc 1587.92
    2-ethoxyethanol 881.73
    isopentanol 378.06
    n-heptane 77.35
    ethyl formate 478.73
    1,2-dichloroethane 696.19
    n-hexanol 203.15
    2-methoxyethanol 1223.91
    isobutyl acetate 148.09
    tetrachloromethane 150.02
    n-pentyl acetate 169.82
    transcutol 907.4
    n-heptanol 128.45
    ethylbenzene 151.25
    MIBK 334.57
    2-propoxyethanol 415.16
    tert-butanol 682.82
    MTBE 540.68
    2-butoxyethanol 263.87
    propionic acid 336.21
    o-xylene 211.6
    formic acid 923.87
    diethyl ether 650.06
    m-xylene 162.55
    p-xylene 193.22
    chlorobenzene 168.39
    dimethyl carbonate 320.51
    n-octane 36.23
    formamide 1638.38
    cyclopentanone 722.05
    2-pentanone 572.7
    anisole 407.92
    cyclopentyl methyl ether 492.44
    gamma-butyrolactone 763.1
    1-methoxy-2-propanol 750.29
    pyridine 535.02
    3-pentanone 447.82
    furfural 806.04
    n-dodecane 24.37
    diethylene glycol 414.64
    diisopropyl ether 191.21
    tert-amyl alcohol 565.04
    acetylacetone 677.29
    n-hexadecane 26.43
    acetophenone 404.44
    methyl propionate 437.74
    isopentyl acetate 159.58
    trichloroethylene 960.0
    n-nonanol 152.84
    cyclohexanol 372.32
    benzyl alcohol 310.32
    2-ethylhexanol 139.19
    isooctanol 112.21
    dipropyl ether 237.76
    1,2-dichlorobenzene 181.43
    ethyl lactate 183.77
    propylene carbonate 338.71
    n-methylformamide 1148.37
    2-pentanol 350.9
    n-pentane 149.01
    1-propoxy-2-propanol 257.22
    1-methoxy-2-propyl acetate 226.62
    2-(2-methoxypropoxy) propanol 268.68
    mesitylene 124.5
    ε-caprolactone 447.45
    p-cymene 99.24
    epichlorohydrin 928.28
    1,1,1-trichloroethane 417.79
    2-aminoethanol 454.44
    morpholine-4-carbaldehyde 1161.13
    sulfolane 942.66
    2,2,4-trimethylpentane 63.11
    2-methyltetrahydrofuran 689.14
    n-hexyl acetate 224.14
    isooctane 40.88
    2-(2-butoxyethoxy)ethanol 335.86
    sec-butyl acetate 205.94
    tert-butyl acetate 295.83
    decalin 56.07
    glycerin 323.39
    diglyme 854.59
    acrylic acid 367.28
    isopropyl myristate 103.55
    n-butyric acid 359.69
    acetyl acetate 300.65
    di(2-ethylhexyl) phthalate 98.83
    ethyl propionate 316.47
    nitromethane 1986.62
    1,2-diethoxyethane 369.41
    benzonitrile 274.39
    trioctyl phosphate 75.85
    1-bromopropane 396.69
    gamma-valerolactone 942.97
    n-decanol 114.2
    triethyl phosphate 115.26
    4-methyl-2-pentanol 204.14
    propionitrile 450.17
    vinylene carbonate 332.19
    1,1,2-trichlorotrifluoroethane 641.63
    DMS 195.72
    cumene 119.82
    2-octanol 112.21
    2-hexanone 398.74
    octyl acetate 131.32
    limonene 149.28
    1,2-dimethoxyethane 1465.82
    ethyl orthosilicate 111.52
    tributyl phosphate 89.06
    diacetone alcohol 406.44
    N,N-dimethylaniline 381.09
    acrylonitrile 572.33
    aniline 291.06
    1,3-propanediol 526.17
    bromobenzene 153.57
    dibromomethane 649.58
    1,1,2,2-tetrachloroethane 750.84
    2-methyl-cyclohexyl acetate 158.43
    tetrabutyl urea 167.39
    diisobutyl methanol 108.22
    2-phenylethanol 188.34
    styrene 181.63
    dioctyl adipate 156.24
    dimethyl sulfate 529.71
    ethyl butyrate 213.42
    methyl lactate 276.52
    butyl lactate 133.9
    diethyl carbonate 150.69
    propanediol butyl ether 229.73
    triethyl orthoformate 151.28
    p-tert-butyltoluene 96.08
    methyl 4-tert-butylbenzoate 262.86
    morpholine 910.81
    tert-butylamine 476.82
    n-dodecanol 90.52
    dimethoxymethane 1219.35
    ethylene carbonate 266.71
    cyrene 310.02
    2-ethoxyethyl acetate 239.21
    2-ethylhexyl acetate 129.15
    1,2,4-trichlorobenzene 212.45
    4-methylpyridine 570.24
    dibutyl ether 195.84
    2,6-dimethyl-4-heptanol 108.22
    DEF 831.12
    dimethyl isosorbide 349.62
    tetrachloroethylene 579.48
    eugenol 246.75
    triacetin 253.85
    span 80 177.08
    1,4-butanediol 296.59
    1,1-dichloroethane 505.87
    2-methyl-1-pentanol 309.63
    methyl formate 940.21
    2-methyl-1-butanol 387.86
    n-decane 41.8
    butyronitrile 442.21
    3,7-dimethyl-1-octanol 149.88
    1-chlorooctane 114.52
    1-chlorotetradecane 48.7
    n-nonane 44.43
    undecane 30.81
    tert-butylcyclohexane 49.23
    cyclooctane 55.61
    cyclopentanol 387.18
    tetrahydropyran 568.26
    tert-amyl methyl ether 468.31
    2,5,8-trioxanonane 531.25
    1-hexene 235.7
    2-isopropoxyethanol 496.4
    2,2,2-trifluoroethanol 480.9
    methyl butyrate 436.28

    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