Sevoflurane

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  • Identifiers

    CAS number
    28523-86-6

    Molecular formula
    C4H3F7O

    SMILES
    C(OC(C(F)(F)F)C(F)(F)F)F

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 47.92%
    Sweet 29.72%
    Cooling 24.12%
    Fishy 21.28%
    Savory 20.59%
    Woody 20.48%
    Balsamic 17.82%
    Clean 17.64%
    Mint 17.54%
    Meaty 17.19%

     

    Flavor
    Odorless 38.01%
    Sulfurous 28.21%
    Sulfury 23.69%
    Bland 23.23%
    Mild 21.39%
    Meaty 19.89%
    Sweet-like 19.33%
    Bouillon 18.9%
    Roasted 18.8%
    Glue 18.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.64 (weak acid)

    Molecular weight
    200.05 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • < 25 °C

    Boiling point

    • 58.5 °C
    • 58.1-58.2 °C at 751 mm Hg; 585.5 °C at 760 mm Hg

    Flash point

    • 23.97 ˚C est.

    Solubility expt.

    • Very slightly soluble
    • 1.48e+00 g/L

  • Synonyms

    • sevoflurane
    • 28523-86-6
    • 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane
    • Sevofluran
    • Ultane
    • Sevorane
    • Sevoflurano
    • Sojourn
    • MR6S4
    • sevoflo
    • Sevofluranum
    • Fluoromethyl 1,1,1,3,3,3-Hexafluoroisopropyl Ether
    • Sevofluranum [INN-Latin]
    • Sevoflurano [INN-Spanish]
    • Propane, 1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-
    • Sevocalm
    • Petrem
    • fluoromethyl hexafluoroisopropyl ether
    • MR-6S4
    • NSC-760367
    • Fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether
    • 38LVP0K73A
    • CHEBI:9130
    • DTXSID8046614
    • 1H,1H,3H-Perfluoro(3-methyl-2-oxabutane)
    • DTXCID6026614
    • 1173021-96-9
    • MFCD00153189
    • NCGC00167421-01
    • Sevofrane
    • Fluoromethyl 2H-hexafluoroprop-2-yl ether
    • ETHER, FLUOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL-
    • Bax 3084
    • SEVOFLURANE (MART.)
    • SEVOFLURANE [MART.]
    • SEVOFLURANE (USP-RS)
    • SEVOFLURANE [USP-RS]
    • SEVOFLURANE (EP IMPURITY)
    • SEVOFLURANE [EP IMPURITY]
    • SEVOFLURANE (EP MONOGRAPH)
    • SEVOFLURANE (USP IMPURITY)
    • SEVOFLURANE [EP MONOGRAPH]
    • SEVOFLURANE [USP IMPURITY]
    • SEVOFLURANE (USP MONOGRAPH)
    • SEVOFLURANE [USP MONOGRAPH]
    • SEVOFLURANE (EMA EPAR VETERINARY)
    • SEVOFLURANE [EMA EPAR VETERINARY]
    • Sevoflurane-d3, Fluoromethyl 1,1,1,3,3,3-hexafluoro-2-propyl ether-d3, Fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether-d3
    • Ultane (TN)
    • BRN 2041023
    • UNII-38LVP0K73A
    • Sevospire
    • FlurovessTM
    • fluoromethyl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl ether
    • HSDB 8059
    • Sevoflurane Bostonbio
    • Propane,1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)-
    • Sevoflurane [USAN:USP:INN:BAN:JAN]
    • SEVOFLURANE [MI]
    • SEVOFLURANE [INN]
    • SEVOFLURANE [JAN]
    • F0691
    • SEVOFLURANE [USAN]
    • SEVOFLURANE [VANDF]
    • (CF3)2CHOCH2F
    • SCHEMBL61918
    • SEVOFLURANE [WHO-DD]
    • GTPL7296
    • CHEMBL1200694
    • SEVOFLURANE [GREEN BOOK]
    • Sevoflurane (JP18/USAN/INN)
    • N01AB08
    • SEVOFLURANE [ORANGE BOOK]
    • HMS3264N21
    • Pharmakon1600-01503680
    • Tox21_112425
    • NSC760367
    • AKOS007930500
    • CCG-213707
    • DB01236
    • FS29164
    • NSC 760367
    • NCGC00167421-02
    • AC-15484
    • AS-13261
    • CAS-28523-86-6
    • DB-047409
    • NS00014360
    • S2464
    • C07520
    • D00547
    • D78401
    • EN300-123016
    • SBI-0653442.0001
    • AB01563174_01
    • Q419394
    • SR-01000944968
    • SR-01000944968-1
    • BRD-K05638300-001-01-2
    • Fluoromethyl 1,1,1,3,3,3-hexafluoro-2-propyl ether
    • Z1269113624

  • Applications

    Sevoflurane (CAS 28523-86-6) is primarily used as an inhalation anesthetic for induction and maintenance of general anesthesia in humans and veterinary patients; it is also used in anesthesia research and education, with handling subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 423.59
    methanol 884.67
    isopropanol 301.89
    water 148.37
    ethyl acetate 285.33
    n-propanol 276.0
    acetone 809.29
    n-butanol 221.24
    acetonitrile 567.3
    DMF 2161.38
    toluene 89.22
    isobutanol 190.8
    1,4-dioxane 337.91
    methyl acetate 340.55
    THF 905.65
    2-butanone 409.56
    n-pentanol 162.24
    sec-butanol 218.81
    n-hexane 29.42
    ethylene glycol 265.12
    NMP 1504.21
    cyclohexane 28.49
    DMSO 2772.17
    n-butyl acetate 123.06
    n-octanol 67.27
    chloroform 178.6
    n-propyl acetate 221.95
    acetic acid 385.12
    dichloromethane 298.69
    cyclohexanone 309.6
    propylene glycol 216.47
    isopropyl acetate 181.1
    DMAc 1561.02
    2-ethoxyethanol 491.31
    isopentanol 160.44
    n-heptane 27.31
    ethyl formate 316.58
    1,2-dichloroethane 263.09
    n-hexanol 110.68
    2-methoxyethanol 836.76
    isobutyl acetate 88.97
    tetrachloromethane 33.61
    n-pentyl acetate 80.3
    transcutol 432.98
    n-heptanol 50.98
    ethylbenzene 58.24
    MIBK 202.06
    2-propoxyethanol 354.99
    tert-butanol 314.73
    MTBE 185.5
    2-butoxyethanol 141.56
    propionic acid 236.84
    o-xylene 80.15
    formic acid 484.49
    diethyl ether 313.82
    m-xylene 79.53
    p-xylene 61.25
    chlorobenzene 62.3
    dimethyl carbonate 277.68
    n-octane 11.6
    formamide 868.28
    cyclopentanone 525.45
    2-pentanone 362.25
    anisole 171.61
    cyclopentyl methyl ether 319.94
    gamma-butyrolactone 686.64
    1-methoxy-2-propanol 630.49
    pyridine 274.65
    3-pentanone 290.77
    furfural 532.6
    n-dodecane 9.89
    diethylene glycol 340.97
    diisopropyl ether 84.14
    tert-amyl alcohol 216.05
    acetylacetone 386.09
    n-hexadecane 10.35
    acetophenone 197.32
    methyl propionate 340.17
    isopentyl acetate 77.79
    trichloroethylene 254.33
    n-nonanol 64.6
    cyclohexanol 147.86
    benzyl alcohol 148.7
    2-ethylhexanol 61.45
    isooctanol 38.65
    dipropyl ether 162.73
    1,2-dichlorobenzene 60.43
    ethyl lactate 200.43
    propylene carbonate 295.96
    n-methylformamide 986.85
    2-pentanol 158.41
    n-pentane 44.21
    1-propoxy-2-propanol 229.88
    1-methoxy-2-propyl acetate 193.91
    2-(2-methoxypropoxy) propanol 194.14
    mesitylene 52.25
    ε-caprolactone 285.29
    p-cymene 40.29
    epichlorohydrin 551.34
    1,1,1-trichloroethane 126.55
    2-aminoethanol 321.36
    morpholine-4-carbaldehyde 858.21
    sulfolane 968.51
    2,2,4-trimethylpentane 14.37
    2-methyltetrahydrofuran 382.67
    n-hexyl acetate 98.98
    isooctane 11.21
    2-(2-butoxyethoxy)ethanol 209.07
    sec-butyl acetate 119.57
    tert-butyl acetate 170.84
    decalin 15.06
    glycerin 329.65
    diglyme 375.2
    acrylic acid 250.98
    isopropyl myristate 53.21
    n-butyric acid 214.77
    acetyl acetate 156.25
    di(2-ethylhexyl) phthalate 49.4
    ethyl propionate 247.41
    nitromethane 1086.58
    1,2-diethoxyethane 173.35
    benzonitrile 139.99
    trioctyl phosphate 44.1
    1-bromopropane 170.07
    gamma-valerolactone 665.28
    n-decanol 52.58
    triethyl phosphate 84.59
    4-methyl-2-pentanol 91.25
    propionitrile 319.68
    vinylene carbonate 252.93
    1,1,2-trichlorotrifluoroethane 353.74
    DMS 127.73
    cumene 42.21
    2-octanol 42.23
    2-hexanone 232.83
    octyl acetate 68.45
    limonene 58.0
    1,2-dimethoxyethane 743.57
    ethyl orthosilicate 72.91
    tributyl phosphate 54.01
    diacetone alcohol 273.23
    N,N-dimethylaniline 180.72
    acrylonitrile 419.05
    aniline 134.64
    1,3-propanediol 312.12
    bromobenzene 50.17
    dibromomethane 214.61
    1,1,2,2-tetrachloroethane 221.25
    2-methyl-cyclohexyl acetate 82.78
    tetrabutyl urea 107.31
    diisobutyl methanol 48.58
    2-phenylethanol 107.96
    styrene 64.58
    dioctyl adipate 82.11
    dimethyl sulfate 474.97
    ethyl butyrate 151.92
    methyl lactate 328.85
    butyl lactate 91.42
    diethyl carbonate 101.93
    propanediol butyl ether 140.86
    triethyl orthoformate 102.18
    p-tert-butyltoluene 39.13
    methyl 4-tert-butylbenzoate 124.67
    morpholine 491.15
    tert-butylamine 190.97
    n-dodecanol 41.92
    dimethoxymethane 975.93
    ethylene carbonate 217.99
    cyrene 264.47
    2-ethoxyethyl acetate 114.2
    2-ethylhexyl acetate 62.73
    1,2,4-trichlorobenzene 72.89
    4-methylpyridine 288.25
    dibutyl ether 84.92
    2,6-dimethyl-4-heptanol 48.58
    DEF 555.59
    dimethyl isosorbide 320.86
    tetrachloroethylene 142.06
    eugenol 147.37
    triacetin 134.87
    span 80 123.64
    1,4-butanediol 163.94
    1,1-dichloroethane 187.7
    2-methyl-1-pentanol 115.33
    methyl formate 739.25
    2-methyl-1-butanol 159.29
    n-decane 15.08
    butyronitrile 256.0
    3,7-dimethyl-1-octanol 56.56
    1-chlorooctane 40.2
    1-chlorotetradecane 21.29
    n-nonane 14.54
    undecane 11.96
    tert-butylcyclohexane 14.07
    cyclooctane 14.06
    cyclopentanol 212.52
    tetrahydropyran 255.09
    tert-amyl methyl ether 178.42
    2,5,8-trioxanonane 320.43
    1-hexene 75.74
    2-isopropoxyethanol 273.08
    2,2,2-trifluoroethanol 255.6
    methyl butyrate 299.67

    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