Pentobarbital Sodium

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  • Identifiers

    CAS number
    57-33-0

    Molecular formula
    C11H17N2NaO3

    SMILES
    CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 38.96%
    Mint 37.03%
    Herbal 36.25%
    Cooling 32.86%
    Spicy 30.86%
    Woody 21.2%
    Fresh 16.87%
    Celery 16.62%
    Warm 16.46%
    Savory 15.49%

     

    Flavor
    Bitter 55.76%
    Cedarleaf 21.61%
    Lovage 19.73%
    Odorless 19.71%
    Herbal 19.31%
    Leaves 19.28%
    Basil 19.12%
    Carrot 19.0%
    Green pepper 18.99%
    Ripe apricot 18.64%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    6.87 (neutral)

    Molecular weight
    248.25 g/mol

    Flash point

    • 125.26 ˚C est.

  • Synonyms

    • PENTOBARBITAL SODIUM
    • Somnopentyl
    • Pentobarbital sodium salt
    • Barpental
    • Biosedan
    • Napental
    • Vetbutal
    • Auropan
    • Embutal
    • Etaminal sodium
    • Euthanyl
    • Euthatal
    • Isobarb
    • Mebunat
    • Pacifan
    • Pentonal
    • Pentone
    • Sopental
    • Pental
    • Sotyl
    • Sodium nembutal
    • Mebumal sodium
    • Ethaminal sodium
    • Sodium ethaminal
    • Sodium pentobarbitone
    • Sodium-Pent
    • Sodium pentobarbital
    • V-Pento
    • Mebubarbital sodium
    • 57-33-0
    • Continal
    • Lethobarb
    • Palapent
    • Pentosol
    • Rivadorn
    • Sonistan
    • Diabutal
    • Mintal
    • Penbar
    • Pentobarbitone sodium
    • Soluble pentobarbital
    • Sodium pentobarbiturate
    • Pentabarbital sodium
    • Sagatal
    • Nembutal sodium
    • Narcoren
    • Sontobarbital nabitone
    • Eutha 77
    • RS-Pentobarbital sodium
    • NSC 10816
    • Praecicalm
    • Entobar
    • Somnotol
    • sodium pental
    • EINECS 200-323-9
    • Butylmethyl ethyl malonyl urea sodium
    • UNII-NJJ0475N0S
    • Pentobarbital sodium [USP:JAN]
    • Butylone [Barbiturate]
    • Propylmethylcarbinylethyl barbituric acid sodium salt
    • Barbituric acid, 5-ethyl-5-sec-pentyl-, sodium salt
    • 5-Ethyl-5-(1-methylbutyl)barbituric acid sodium salt
    • 5-Ethyl-5-(1-methylbutyl) barbituric acid sodium salt
    • Sodium 5-ethyl-5-(1-methylbutyl)barbiturate
    • CHEBI:7984
    • NJJ0475N0S
    • DTXSID9021712
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt
    • 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt
    • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt
    • Butylone (Barbiturate)
    • Pentobarbital.sodium salt
    • NSC-10816
    • sodium 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-olate
    • Pentobarbital sodium (USP:JAN)
    • Sedalixir
    • MLS001306463
    • NSC10816
    • PENTOBARBITAL SODIUM (MART.)
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl), monosodium salt
    • PENTOBARBITAL SODIUM (EP IMPURITY)
    • Pentobarbital Sodium Salt (1.0 mg/mL in Methanol)
    • SMR000718804
    • PENTOBARBITAL SODIUM (EP MONOGRAPH)
    • PENTOBARBITAL SODIUM (USP MONOGRAPH)
    • Pentobarsol
    • DEA No. 2270
    • Fatal-Plus Powder
    • Fatal-Plus Solution
    • Somnopentyl Injection
    • Nembutal sodium (TN)
    • 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, SODIUM SALT (1:1)
    • CHEMBL971
    • SCHEMBL1247
    • Monosodium Salt Pentobarbital
    • Pentobarbital, Monosodium Salt
    • DTXCID601712
    • STOCK2S-15760
    • Pentobarbital Sodium (JAN/USP)
    • MolPort-002-561-071
    • GLXC-25689
    • BCP07810
    • AKOS005111157
    • NS00067927
    • P0776
    • C07423
    • D00500
    • Q27107638
    • Barbituric Acid, 5-ethyl-5-(1-methylbutyl)-,Sodium Salt
    • 5-ethyl-5-(1-methylbutyl)-4,6-dioxo-1H-pyrimidin-2-olate
    • Pentobarbital.sodium salt, 1mg/ml in Methanol (as free Acid)
    • 200-323-9

  • Applications

    Pentobarbital sodium (CAS 57-33-0) is the sodium salt of pentobarbital, a short-acting barbiturate used as a sedative-hypnotic and intravenous anesthetic in clinical settings. Primary applications include: (1) pharmaceuticals—as an active ingredient for short-acting sedatives and anesthesia in medical treatment; (2) veterinary medicine—as an anesthetic and humane euthanasia agent for animals; (3) laboratory research—for anesthetizing laboratory animals in studies; (4) analytical and quality-control contexts in pharmaceutical manufacturing—used as a reference compound or to support analytical methods related to barbiturates, under strict regulatory oversight.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.89
    methanol 61.11
    isopropanol 33.61
    water 0.31
    ethyl acetate 53.83
    n-propanol 34.58
    acetone 82.16
    n-butanol 35.75
    acetonitrile 41.26
    DMF 307.97
    toluene 29.46
    isobutanol 26.01
    1,4-dioxane 94.64
    methyl acetate 63.96
    THF 317.84
    2-butanone 70.1
    n-pentanol 23.4
    sec-butanol 25.84
    n-hexane 0.5
    ethylene glycol 28.13
    NMP 637.8
    cyclohexane 1.19
    DMSO 403.85
    n-butyl acetate 35.52
    n-octanol 4.62
    chloroform 197.33
    n-propyl acetate 25.83
    acetic acid 112.79
    dichloromethane 239.23
    cyclohexanone 197.17
    propylene glycol 43.67
    isopropyl acetate 33.98
    DMAc 219.53
    2-ethoxyethanol 48.93
    isopentanol 30.96
    n-heptane 0.32
    ethyl formate 51.5
    1,2-dichloroethane 151.91
    n-hexanol 24.0
    2-methoxyethanol 150.36
    isobutyl acetate 17.44
    tetrachloromethane 16.7
    n-pentyl acetate 21.89
    transcutol 71.05
    n-heptanol 9.12
    ethylbenzene 9.25
    MIBK 37.45
    2-propoxyethanol 88.25
    tert-butanol 39.84
    MTBE 12.9
    2-butoxyethanol 34.66
    propionic acid 75.87
    o-xylene 17.55
    formic acid 68.77
    diethyl ether 11.12
    m-xylene 22.28
    p-xylene 14.49
    chlorobenzene 76.95
    dimethyl carbonate 48.21
    n-octane 0.17
    formamide 102.4
    cyclopentanone 350.68
    2-pentanone 57.81
    anisole 26.96
    cyclopentyl methyl ether 64.57
    gamma-butyrolactone 449.23
    1-methoxy-2-propanol 116.82
    pyridine 139.59
    3-pentanone 36.93
    furfural 316.96
    n-dodecane 0.18
    diethylene glycol 95.74
    diisopropyl ether 3.7
    tert-amyl alcohol 27.08
    acetylacetone 102.03
    n-hexadecane 0.22
    acetophenone 49.77
    methyl propionate 69.04
    isopentyl acetate 36.93
    trichloroethylene 390.8
    n-nonanol 5.0
    cyclohexanol 42.42
    benzyl alcohol 51.62
    2-ethylhexanol 11.46
    isooctanol 8.02
    dipropyl ether 5.58
    1,2-dichlorobenzene 76.54
    ethyl lactate 30.8
    propylene carbonate 199.87
    n-methylformamide 140.05
    2-pentanol 17.25
    n-pentane 0.49
    1-propoxy-2-propanol 49.44
    1-methoxy-2-propyl acetate 66.96
    2-(2-methoxypropoxy) propanol 38.2
    mesitylene 11.66
    ε-caprolactone 172.22
    p-cymene 7.48
    epichlorohydrin 418.52
    1,1,1-trichloroethane 94.52
    2-aminoethanol 46.99
    morpholine-4-carbaldehyde 301.73
    sulfolane 695.9
    2,2,4-trimethylpentane 0.65
    2-methyltetrahydrofuran 129.27
    n-hexyl acetate 23.65
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 41.0
    sec-butyl acetate 17.68
    tert-butyl acetate 43.33
    decalin 1.18
    glycerin 82.22
    diglyme 69.88
    acrylic acid 92.53
    isopropyl myristate 7.85
    n-butyric acid 94.78
    acetyl acetate 45.3
    di(2-ethylhexyl) phthalate 23.53
    ethyl propionate 27.62
    nitromethane 184.61
    1,2-diethoxyethane 15.05
    benzonitrile 71.42
    trioctyl phosphate 13.82
    1-bromopropane 31.69
    gamma-valerolactone 438.21
    n-decanol 3.76
    triethyl phosphate 19.72
    4-methyl-2-pentanol 12.95
    propionitrile 34.41
    vinylene carbonate 162.69
    1,1,2-trichlorotrifluoroethane 245.63
    DMS 49.32
    cumene 7.4
    2-octanol 5.32
    2-hexanone 28.97
    octyl acetate 12.13
    limonene 9.23
    1,2-dimethoxyethane 64.52
    ethyl orthosilicate 15.68
    tributyl phosphate 16.55
    diacetone alcohol 88.18
    N,N-dimethylaniline 21.63
    acrylonitrile 73.47
    aniline 67.21
    1,3-propanediol 74.74
    bromobenzene 74.17
    dibromomethane 107.7
    1,1,2,2-tetrachloroethane 252.84
    2-methyl-cyclohexyl acetate 30.64
    tetrabutyl urea 22.92
    diisobutyl methanol 7.07
    2-phenylethanol 51.58
    styrene 11.48
    dioctyl adipate 19.29
    dimethyl sulfate 141.89
    ethyl butyrate 21.56
    methyl lactate 74.63
    butyl lactate 29.98
    diethyl carbonate 18.5
    propanediol butyl ether 30.6
    triethyl orthoformate 16.57
    p-tert-butyltoluene 7.37
    methyl 4-tert-butylbenzoate 46.9
    morpholine 146.06
    tert-butylamine 12.11
    n-dodecanol 2.67
    dimethoxymethane 105.35
    ethylene carbonate 117.84
    cyrene 99.14
    2-ethoxyethyl acetate 40.03
    2-ethylhexyl acetate 26.87
    1,2,4-trichlorobenzene 111.81
    4-methylpyridine 141.43
    dibutyl ether 3.23
    2,6-dimethyl-4-heptanol 7.07
    DEF 88.21
    dimethyl isosorbide 116.88
    tetrachloroethylene 124.07
    eugenol 50.02
    triacetin 37.19
    span 80 38.09
    1,4-butanediol 27.17
    1,1-dichloroethane 94.33
    2-methyl-1-pentanol 24.44
    methyl formate 107.87
    2-methyl-1-butanol 27.68
    n-decane 0.24
    butyronitrile 36.42
    3,7-dimethyl-1-octanol 7.02
    1-chlorooctane 2.43
    1-chlorotetradecane 1.11
    n-nonane 0.19
    undecane 0.21
    tert-butylcyclohexane 0.96
    cyclooctane 0.4
    cyclopentanol 81.32
    tetrahydropyran 60.45
    tert-amyl methyl ether 13.67
    2,5,8-trioxanonane 54.91
    1-hexene 3.04
    2-isopropoxyethanol 30.61
    2,2,2-trifluoroethanol 58.42
    methyl butyrate 40.13

    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