Propofol

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  • Identifiers

    CAS number
    2078-54-8

    Molecular formula
    C12H18O

    SMILES
    CC(C)C1=C(C(=CC=C1)C(C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 74.26%
    Spicy 59.37%
    Medicinal 53.01%
    Smoky 50.53%
    Woody 48.75%
    Herbal 46.98%
    Leathery 42.64%
    Camphoreous 41.03%
    Burnt 40.71%
    Musty 30.93%

     

    Flavor
    Herbal 42.27%
    Phenolic 41.7%
    Medicinal 41.42%
    Woody 39.86%
    Spice 37.45%
    Camphor 35.35%
    Spicy 34.16%
    Musty 25.62%
    Creosote 25.19%
    Thymol 23.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    10.37 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 18 °C

    Boiling point

    • 256 °C
    • 242 °C
    • 254.00 to 256.00 °C. @ 764.00 mm Hg

    Flash point

    • 116.03 ˚C est.

    Solubility expt.

    • 124 mg/L
    • Insoluble in water. Soluble in alcohol and toluene.
    • 1.58e-01 g/L

  • Synonyms

    • propofol
    • 2,6-DIISOPROPYLPHENOL
    • 2078-54-8
    • Diprivan
    • Disoprofol
    • Disoprivan
    • Fresofol
    • Diisopropylphenol
    • Ampofol
    • 2,6-Bis(1-methylethyl)phenol
    • Rapinovet
    • Propofolum
    • Phenol, 2,6-bis(1-methylethyl)-
    • Recofol
    • Ivofol
    • Pofol
    • Propofol-Lipuro
    • 2,6-di(propan-2-yl)phenol
    • Phenol, 2,6-diisopropyl-
    • Diprifusor
    • Diprofol
    • Propovan
    • ICI 35868
    • 2,6-Diisopropyl phenol
    • Diprivan 10
    • Propofolum [Latin]
    • Dipravan
    • Propoven
    • Aquafo
    • Diprivan Injectable emulsion
    • 2,6 Diisopropylphenol
    • NSC 5105
    • ICI-35868
    • 2,6-bis(propan-2-yl)phenol
    • CCRIS 9000
    • Lipuro
    • HSDB 7123
    • UNII-YI7VU623SF
    • EINECS 218-206-6
    • YI7VU623SF
    • MFCD00008885
    • ICI 35,868
    • BRN 1866484
    • DTXSID6023523
    • CHEBI:44915
    • AI3-26295
    • NSC5105
    • Phenol, 2,6-bis(1-methylethyl)
    • 2,6-diisopropyl-phenol
    • ICI35,868
    • 2,6-bis(Isopropyl)phenol
    • 2,6-dipropan-2-ylphenol
    • CHEMBL526
    • ICI 35-868
    • DTXCID103523
    • KETAFOL COMPONENT PROPOFOL
    • Propofol [USAN:USP:INN:BAN]
    • 4-06-00-03435 (Beilstein Handbook Reference)
    • NSC-5105
    • Propofolum (Latin)
    • NCGC00015389-08
    • Aquafol
    • CAS-2078-54-8
    • PROPOFOL (MART.)
    • PROPOFOL [MART.]
    • PROPOFOL (USP-RS)
    • PROPOFOL [USP-RS]
    • PROPOFOL (EP IMPURITY)
    • PROPOFOL [EP IMPURITY]
    • PROPOFOL (EP MONOGRAPH)
    • PROPOFOL (USP IMPURITY)
    • PROPOFOL [EP MONOGRAPH]
    • PROPOFOL [USP IMPURITY]
    • PROPOFOL (USP MONOGRAPH)
    • PROPOFOL [USP MONOGRAPH]
    • Propofol (USAN:USP:INN:BAN)
    • Propofol IDD-D
    • Diprivan (TN)
    • SMR000059151
    • 2, 6-Diisopropylphenol
    • SR-01000075468
    • DDS-04F
    • ghl.PD_Mitscher_leg0.558
    • Rapanofal
    • PropoClear
    • PropoFlo
    • Propofol Lipuro
    • Phenol,2,6-bis(1-methylethyl)-
    • Propofol 1%
    • PropoFlo 28
    • Propofol (Diprivan)
    • Propofol (Standard)
    • ZD-0859
    • Phenol,6-diisopropyl-
    • PROPOFOL [HSDB]
    • PROPOFOL [USAN]
    • PROPOFOL [INN]
    • PROPOFOL [JAN]
    • PropoFlo, PropoFlo 28
    • PROPOFOL [MI]
    • PROPOFOL [VANDF]
    • Prestwick0_000931
    • Prestwick1_000931
    • Prestwick2_000931
    • Prestwick3_000931
    • 2,6-di isopropyl phenol
    • Phenol,2,6-diisopropyl-
    • Biomol-NT_000248
    • Lopac-D126608
    • PROPOFOL [WHO-DD]
    • Propofol (JAN/USP/INN)
    • Propofol Injectable Emulsion
    • Lopac0_000437
    • SCHEMBL36245
    • BSPBio_000862
    • MLS001066348
    • MLS001335999
    • MLS002454360
    • BIDD:GT0436
    • PROPOFOL [GREEN BOOK]
    • SPECTRUM1505022
    • Propofol, 1mg/ml in Methanol
    • SPBio_003031
    • 2,6-Diisopropylphenol, 97%
    • PROPOFOL [ORANGE BOOK]
    • BPBio1_000950
    • BPBio1_000969
    • GTPL5464

  • Applications

    Propofol (CAS 2078-54-8) is primarily used as a short-acting intravenous general anesthetic in humans and animals, for induction and maintenance of anesthesia and for sedation during procedures and in intensive care. It is formulated as a lipid emulsion for IV administration, and serves as a key API in hospital anesthesia products. Beyond clinical use, propofol is evaluated in pharmaceutical research and development to study the mechanisms of anesthesia and is supplied for controlled clinical trials, and it is used in veterinary anesthesia for similar induction and sedation. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3422.97
    methanol 2408.01
    isopropanol 3519.66
    water 0.62
    ethyl acetate 2167.24
    n-propanol 2859.68
    acetone 4775.35
    n-butanol 2439.69
    acetonitrile 5301.78
    DMF 4225.19
    toluene 1201.04
    isobutanol 2059.03
    1,4-dioxane 5170.2
    methyl acetate 2312.55
    THF 7951.51
    2-butanone 3226.55
    n-pentanol 1399.35
    sec-butanol 2150.18
    n-hexane 902.46
    ethylene glycol 146.43
    NMP 2238.65
    cyclohexane 1317.2
    DMSO 2089.69
    n-butyl acetate 2401.86
    n-octanol 990.06
    chloroform 7386.71
    n-propyl acetate 1512.54
    acetic acid 1271.07
    dichloromethane 7000.06
    cyclohexanone 4288.27
    propylene glycol 311.56
    isopropyl acetate 1121.97
    DMAc 1342.92
    2-ethoxyethanol 944.26
    isopentanol 1505.73
    n-heptane 715.83
    ethyl formate 2054.95
    1,2-dichloroethane 4145.22
    n-hexanol 2279.31
    2-methoxyethanol 1659.97
    isobutyl acetate 884.25
    tetrachloromethane 1256.72
    n-pentyl acetate 1120.35
    transcutol 1299.36
    n-heptanol 957.98
    ethylbenzene 701.08
    MIBK 1077.8
    2-propoxyethanol 1743.55
    tert-butanol 2480.11
    MTBE 2223.22
    2-butoxyethanol 893.63
    propionic acid 1262.84
    o-xylene 579.93
    formic acid 198.24
    diethyl ether 3572.21
    m-xylene 741.66
    p-xylene 896.86
    chlorobenzene 1688.97
    dimethyl carbonate 538.61
    n-octane 297.24
    formamide 529.66
    cyclopentanone 4910.3
    2-pentanone 2538.06
    anisole 938.67
    cyclopentyl methyl ether 2560.78
    gamma-butyrolactone 4738.47
    1-methoxy-2-propanol 1379.91
    pyridine 3635.06
    3-pentanone 1577.56
    furfural 2015.84
    n-dodecane 187.22
    diethylene glycol 585.52
    diisopropyl ether 763.89
    tert-amyl alcohol 1501.85
    acetylacetone 1468.98
    n-hexadecane 219.8
    acetophenone 731.88
    methyl propionate 1514.67
    isopentyl acetate 1611.22
    trichloroethylene 5759.42
    n-nonanol 776.33
    cyclohexanol 2004.5
    benzyl alcohol 636.43
    2-ethylhexanol 1126.55
    isooctanol 691.91
    dipropyl ether 1984.69
    1,2-dichlorobenzene 1178.45
    ethyl lactate 366.5
    propylene carbonate 2090.49
    n-methylformamide 2249.83
    2-pentanol 1577.67
    n-pentane 783.94
    1-propoxy-2-propanol 1350.67
    1-methoxy-2-propyl acetate 983.04
    2-(2-methoxypropoxy) propanol 434.28
    mesitylene 482.05
    ε-caprolactone 2516.08
    p-cymene 504.17
    epichlorohydrin 4553.26
    1,1,1-trichloroethane 3640.84
    2-aminoethanol 462.51
    morpholine-4-carbaldehyde 1916.39
    sulfolane 2897.05
    2,2,4-trimethylpentane 186.12
    2-methyltetrahydrofuran 4835.93
    n-hexyl acetate 1544.15
    isooctane 191.39
    2-(2-butoxyethoxy)ethanol 705.27
    sec-butyl acetate 699.69
    tert-butyl acetate 984.4
    decalin 340.21
    glycerin 244.18
    diglyme 1474.61
    acrylic acid 779.56
    isopropyl myristate 533.53
    n-butyric acid 2066.14
    acetyl acetate 800.17
    di(2-ethylhexyl) phthalate 305.24
    ethyl propionate 1017.12
    nitromethane 2769.51
    1,2-diethoxyethane 1430.52
    benzonitrile 1370.68
    trioctyl phosphate 331.92
    1-bromopropane 3177.5
    gamma-valerolactone 4026.61
    n-decanol 559.99
    triethyl phosphate 346.61
    4-methyl-2-pentanol 639.84
    propionitrile 3557.98
    vinylene carbonate 1671.0
    1,1,2-trichlorotrifluoroethane 1198.33
    DMS 641.32
    cumene 447.09
    2-octanol 772.85
    2-hexanone 1637.29
    octyl acetate 694.52
    limonene 791.72
    1,2-dimethoxyethane 2574.72
    ethyl orthosilicate 350.68
    tributyl phosphate 348.62
    diacetone alcohol 887.63
    N,N-dimethylaniline 576.1
    acrylonitrile 3309.12
    aniline 1083.21
    1,3-propanediol 974.58
    bromobenzene 1894.69
    dibromomethane 5107.24
    1,1,2,2-tetrachloroethane 3902.04
    2-methyl-cyclohexyl acetate 727.35
    tetrabutyl urea 471.42
    diisobutyl methanol 556.55
    2-phenylethanol 822.96
    styrene 861.37
    dioctyl adipate 549.94
    dimethyl sulfate 612.05
    ethyl butyrate 1188.1
    methyl lactate 394.99
    butyl lactate 576.6
    diethyl carbonate 648.66
    propanediol butyl ether 659.03
    triethyl orthoformate 679.67
    p-tert-butyltoluene 501.67
    methyl 4-tert-butylbenzoate 622.98
    morpholine 5314.97
    tert-butylamine 1743.72
    n-dodecanol 421.33
    dimethoxymethane 2286.7
    ethylene carbonate 1662.01
    cyrene 463.94
    2-ethoxyethyl acetate 903.02
    2-ethylhexyl acetate 1272.83
    1,2,4-trichlorobenzene 1114.14
    4-methylpyridine 3131.54
    dibutyl ether 1331.8
    2,6-dimethyl-4-heptanol 556.55
    DEF 1840.68
    dimethyl isosorbide 935.56
    tetrachloroethylene 2413.62
    eugenol 487.58
    triacetin 574.88
    span 80 549.55
    1,4-butanediol 351.16
    1,1-dichloroethane 4792.92
    2-methyl-1-pentanol 941.22
    methyl formate 1709.82
    2-methyl-1-butanol 1440.39
    n-decane 339.77
    butyronitrile 3927.77
    3,7-dimethyl-1-octanol 687.6
    1-chlorooctane 958.56
    1-chlorotetradecane 345.24
    n-nonane 369.88
    undecane 249.17
    tert-butylcyclohexane 311.63
    cyclooctane 394.3
    cyclopentanol 2457.18
    tetrahydropyran 6306.81
    tert-amyl methyl ether 1125.64
    2,5,8-trioxanonane 757.08
    1-hexene 1899.32
    2-isopropoxyethanol 701.63
    2,2,2-trifluoroethanol 357.88
    methyl butyrate 1595.9

    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