Amobarbital

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  • Identifiers

    CAS number
    57-43-2

    Molecular formula
    C11H18N2O3

    SMILES
    CCC1(C(=O)NC(=O)NC1=O)CCC(C)C

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Mint 41.01%
    Herbal 38.04%
    Cooling 35.71%
    Odorless 35.64%
    Spicy 34.29%
    Woody 22.09%
    Camphoreous 19.3%
    Warm 18.2%
    Sweet 16.17%
    Tobacco 15.96%

     

    Flavor
    Bitter 55.43%
    Cedarleaf 21.72%
    Lovage 19.92%
    Herbal 19.76%
    Leaves 19.33%
    Basil 19.31%
    Ripe apricot 18.97%
    Odorless 18.89%
    Green pepper 18.84%
    Red fruit 18.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.68 (neutral)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Melting point expt.

    • 313 to 316 °F (NTP, 1992)
    • 157 °C

    Flash point

    • 161.35 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 65.3 °F (NTP, 1992)
    • 603 mg/L (at 25 °C)
    • 1 g dissolves in: 1300 mL water; in 5 mL alcohol; in 17 mL chloroform; in 6 mL ether. Freely soluble in benzene; soluble in alkaline. Insoluble in petroleum ether, aliphatic hydrocarbons.
    • Sol in aq solutions of alkali hydroxides and carbonates
    • Very soluble in benzene, ethanol, chloroform
    • In water, 603 mg/L at 25 °C
    • 8.97e-01 g/L

  • Synonyms

    • amobarbital
    • Amylobarbitone
    • Isomytal
    • Amylobarbital
    • Barbamil
    • Barbamyl
    • Amytal
    • 57-43-2
    • Amobarbitone
    • Amylbarbitone
    • Pentymal
    • Talamo
    • Barbamyl acid
    • Binoctal
    • Dorlotyn
    • Dormytal
    • Eunoctal
    • Mylodorm
    • Pentymalum
    • Schiwanox
    • Sednotic
    • Stadadorm
    • Amasust
    • Amital
    • Amospan
    • Amybal
    • Robarb
    • Somnal
    • Sumital
    • Isomyl
    • AMAL
    • Isoamylethylbarbituric acid
    • 5-Ethyl-5-isopentylbarbituric acid
    • Ethylisopentylbarbituric acid
    • 5-Ethyl-5-isoamylbarbituric acid
    • Amobarbitale
    • Amobarbitalum
    • 5-Ethyl-5-isoamylmalonyl urea
    • 5-Ethyl-5-(3-methylbutyl)barbituric acid
    • 5-Isoamyl-5-ethylbarbituric acid
    • Amobarbital cii
    • Barbituric acid, 5-ethyl-5-isopentyl-
    • NSC 10815
    • 5-Ethyl-5-isopentylbarbitursaeure
    • Amobarbitalum [INN-Latin]
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
    • 5-Ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
    • CCRIS 5454
    • HSDB 3286
    • UNII-GWH6IJ239E
    • EINECS 200-330-7
    • GWH6IJ239E
    • NSC-10815
    • 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
    • component of Dexamyl
    • component of Q-Caps
    • CHEBI:2673
    • DTXSID9020081
    • component of 15-90
    • 5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
    • component of Amo-Dextrosule
    • DTXCID0081
    • Amobarbital [USP:INN:BAN:JAN]
    • NCGC00247711-01
    • Amobarbitale [DCIT]
    • Amobarbitalum (INN-Latin)
    • AMOBARBITAL (MART.)
    • AMOBARBITAL [MART.]
    • AMOBARBITAL (EP IMPURITY)
    • AMOBARBITAL [EP IMPURITY]
    • AMOBARBITAL CII (USP-RS)
    • AMOBARBITAL CII [USP-RS]
    • Amobarbital (USP:INN:BAN:JAN)
    • isopentobarbital
    • WLN: T6VMVMV FHJ F2 F2Y1&1
    • Isomytal (TN)
    • 2,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-
    • 5-Ethyl-5-(3-methylbutyl)-2,6(1H,3H,5H)-pyrimidinetrione
    • EUROCTAL
    • STATADORM
    • Dexamyl (Salt/Mix)
    • AMOBARBITAL [MI]
    • AMOBARBITAL [INN]
    • AMOBARBITAL [JAN]
    • AMOBARBITAL [HSDB]
    • Amobarbital (JP18/INN)
    • AMOBARBITAL [VANDF]
    • BIDD:PXR0091
    • Oprea1_587446
    • SCHEMBL43780
    • AMOBARBITAL [WHO-DD]
    • CBDivE_006514
    • DivK1c_000994
    • CHEMBL267894
    • ISOAMYETHYLBARBITURIC ACID
    • SCHEMBL15364946
    • component of Dexamyl (Salt/Mix)
    • KBio1_000994
    • VIROVYVQCGLCII-UHFFFAOYSA-
    • component of Q-Caps (Salt/Mix)
    • N05CA02
    • NINDS_000994
    • component of 15-90 (Salt/Mix)
    • Amobarbital 0.1 mg/ml in Methanol
    • Amobarbital 1.0 mg/ml in Methanol
    • NSC10815
    • NSC32406
    • Tox21_112866
    • NSC-32406
    • NSC120800
    • Barbituric acid, 5-ethyl-5-isoamyl-
    • Barbituric acid, 5-ethyl-5-isopentyl
    • DB01351
    • NSC-120800
    • CAS-57-43-2
    • component of Amo-Dextrosule (Salt/Mix)
    • IDI1_000994
    • NS00008808
    • C07536
    • D00555
    • Q415850
    • 5-Ethyl-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
    • pyrimidine-2,4,6(1H,3H,5H)-trione, 5-ethyl-5-isopentyl-
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-methylbutyl)-,
    • 5-Ethyl-5-(3-methylbutyl)-2,4,6-(1H,3H,5H)-pyrimidinetrione
    • 200-330-7
    • InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

  • Applications

    Amobarbital (CAS 57-43-2) is a barbiturate primarily used in the pharmaceutical field as a short-acting sedative-hypnotic and, in certain settings, as a brief anesthetic adjunct under regulatory control; in analytical laboratories it serves as a reference standard for toxicology testing and chromatographic method development specific to barbiturates; it is also encountered in medicinal chemistry research for exploring barbiturate derivatives; its use is subject to local regulations and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.41
    methanol 78.73
    isopropanol 64.28
    water 0.55
    ethyl acetate 51.91
    n-propanol 54.51
    acetone 100.3
    n-butanol 46.15
    acetonitrile 35.93
    DMF 383.15
    toluene 13.8
    isobutanol 45.15
    1,4-dioxane 106.54
    methyl acetate 68.99
    THF 367.08
    2-butanone 87.99
    n-pentanol 36.35
    sec-butanol 50.22
    n-hexane 0.49
    ethylene glycol 24.82
    NMP 478.12
    cyclohexane 0.96
    DMSO 280.63
    n-butyl acetate 39.69
    n-octanol 8.74
    chloroform 141.68
    n-propyl acetate 31.86
    acetic acid 109.51
    dichloromethane 116.73
    cyclohexanone 166.98
    propylene glycol 78.25
    isopropyl acetate 37.99
    DMAc 319.73
    2-ethoxyethanol 51.4
    isopentanol 42.86
    n-heptane 0.35
    ethyl formate 53.2
    1,2-dichloroethane 65.63
    n-hexanol 34.84
    2-methoxyethanol 133.13
    isobutyl acetate 25.47
    tetrachloromethane 9.93
    n-pentyl acetate 25.15
    transcutol 55.82
    n-heptanol 14.18
    ethylbenzene 8.0
    MIBK 41.51
    2-propoxyethanol 95.24
    tert-butanol 68.47
    MTBE 20.06
    2-butoxyethanol 38.98
    propionic acid 95.05
    o-xylene 11.71
    formic acid 48.34
    diethyl ether 11.28
    m-xylene 12.7
    p-xylene 14.92
    chlorobenzene 34.46
    dimethyl carbonate 36.98
    n-octane 0.25
    formamide 65.78
    cyclopentanone 345.48
    2-pentanone 59.42
    anisole 25.2
    cyclopentyl methyl ether 57.68
    gamma-butyrolactone 394.86
    1-methoxy-2-propanol 126.12
    pyridine 93.04
    3-pentanone 36.81
    furfural 209.3
    n-dodecane 0.33
    diethylene glycol 78.03
    diisopropyl ether 4.21
    tert-amyl alcohol 51.11
    acetylacetone 97.12
    n-hexadecane 0.39
    acetophenone 46.62
    methyl propionate 63.05
    isopentyl acetate 42.52
    trichloroethylene 184.11
    n-nonanol 8.83
    cyclohexanol 46.14
    benzyl alcohol 46.55
    2-ethylhexanol 16.11
    isooctanol 12.67
    dipropyl ether 7.16
    1,2-dichlorobenzene 36.52
    ethyl lactate 34.49
    propylene carbonate 188.95
    n-methylformamide 116.77
    2-pentanol 26.66
    n-pentane 0.42
    1-propoxy-2-propanol 54.93
    1-methoxy-2-propyl acetate 64.97
    2-(2-methoxypropoxy) propanol 43.95
    mesitylene 7.92
    ε-caprolactone 148.57
    p-cymene 7.42
    epichlorohydrin 259.51
    1,1,1-trichloroethane 57.92
    2-aminoethanol 55.51
    morpholine-4-carbaldehyde 225.32
    sulfolane 478.57
    2,2,4-trimethylpentane 0.74
    2-methyltetrahydrofuran 139.76
    n-hexyl acetate 28.63
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 42.97
    sec-butyl acetate 23.27
    tert-butyl acetate 45.42
    decalin 1.16
    glycerin 92.33
    diglyme 64.49
    acrylic acid 91.5
    isopropyl myristate 11.11
    n-butyric acid 103.26
    acetyl acetate 42.01
    di(2-ethylhexyl) phthalate 27.5
    ethyl propionate 29.87
    nitromethane 147.03
    1,2-diethoxyethane 16.36
    benzonitrile 48.29
    trioctyl phosphate 16.61
    1-bromopropane 19.76
    gamma-valerolactone 336.27
    n-decanol 6.95
    triethyl phosphate 20.73
    4-methyl-2-pentanol 18.45
    propionitrile 35.5
    vinylene carbonate 133.63
    1,1,2-trichlorotrifluoroethane 158.87
    DMS 41.74
    cumene 7.18
    2-octanol 9.12
    2-hexanone 35.7
    octyl acetate 17.09
    limonene 9.45
    1,2-dimethoxyethane 78.89
    ethyl orthosilicate 16.65
    tributyl phosphate 19.33
    diacetone alcohol 91.38
    N,N-dimethylaniline 21.33
    acrylonitrile 58.0
    aniline 39.94
    1,3-propanediol 82.79
    bromobenzene 30.38
    dibromomethane 59.26
    1,1,2,2-tetrachloroethane 146.78
    2-methyl-cyclohexyl acetate 36.02
    tetrabutyl urea 28.03
    diisobutyl methanol 9.17
    2-phenylethanol 47.71
    styrene 9.22
    dioctyl adipate 23.27
    dimethyl sulfate 95.52
    ethyl butyrate 26.12
    methyl lactate 68.46
    butyl lactate 32.15
    diethyl carbonate 21.62
    propanediol butyl ether 40.37
    triethyl orthoformate 20.2
    p-tert-butyltoluene 7.2
    methyl 4-tert-butylbenzoate 48.02
    morpholine 138.01
    tert-butylamine 20.56
    n-dodecanol 5.26
    dimethoxymethane 92.65
    ethylene carbonate 106.47
    cyrene 97.94
    2-ethoxyethyl acetate 35.07
    2-ethylhexyl acetate 31.1
    1,2,4-trichlorobenzene 54.23
    4-methylpyridine 95.23
    dibutyl ether 5.05
    2,6-dimethyl-4-heptanol 9.17
    DEF 77.93
    dimethyl isosorbide 112.16
    tetrachloroethylene 64.31
    eugenol 49.42
    triacetin 38.05
    span 80 44.52
    1,4-butanediol 33.36
    1,1-dichloroethane 65.11
    2-methyl-1-pentanol 34.63
    methyl formate 90.48
    2-methyl-1-butanol 38.1
    n-decane 0.43
    butyronitrile 39.71
    3,7-dimethyl-1-octanol 12.59
    1-chlorooctane 3.31
    1-chlorotetradecane 1.69
    n-nonane 0.33
    undecane 0.38
    tert-butylcyclohexane 1.14
    cyclooctane 0.32
    cyclopentanol 107.21
    tetrahydropyran 67.2
    tert-amyl methyl ether 18.02
    2,5,8-trioxanonane 57.11
    1-hexene 3.54
    2-isopropoxyethanol 40.78
    2,2,2-trifluoroethanol 49.13
    methyl butyrate 47.27

    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