Secobarbital Sodium

Overview IFRA Request a quote

  • Identifiers

    CAS number
    309-43-3

    Molecular formula
    C12H17N2NaO3

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 37.37%
    Spicy 35.97%
    Odorless 33.35%
    Green 29.44%
    Mint 28.84%
    Cooling 22.21%
    Fruity 20.55%
    Woody 19.36%
    Warm 16.35%
    Citrus 15.6%

     

    Flavor
    Bitter 55.07%
    Cedarleaf 21.15%
    Odorless 19.79%
    Lovage 19.6%
    Basil 19.25%
    Nitrile 19.2%
    Broom 18.96%
    Leaves 18.94%
    Heather 18.75%
    Ripe apricot 18.47%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.06 (neutral)

    Molecular weight
    260.26 g/mol

    Flash point

    • 154.38 ˚C est.

  • Synonyms

    • Secobarbital sodium
    • Pramil
    • Immenoctal
    • Sebar
    • Synate
    • Evronal sodium
    • Quinalbarbitone sodium
    • Sodium secobarbital
    • Barbosec
    • Sodium seconal
    • 309-43-3
    • Bipanal
    • Evrronal
    • Imesonal
    • Quinalspan
    • Sedutain
    • Trisomnin
    • Bipinal sodium
    • Seconal sodium
    • Meballymal sodium
    • (rs)-secobarbital sodium
    • Seco 8
    • Sodium quinalbarbitone
    • XBP604F6UM
    • 5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt
    • NSC-10818
    • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt
    • Secobarbital, sodium salt
    • BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, SODIUM SALT
    • 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt
    • DEA No. 2315
    • Sodium 5-allyl-5-(1-methylbutyl)barbiturate
    • Dormatylan
    • Dormona
    • 5-Allyl-5-(1-methylbutyl)malonylurea sodium salt
    • Secobarbitone sodium
    • SECOBARBITAL SODIUM (MART.)
    • SECOBARBITAL SODIUM [MART.]
    • DTXSID5022019
    • 2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPEN-1-YL)-, SODIUM SALT (1:1)
    • SECOBARBITAL SODIUM (USP IMPURITY)
    • SECOBARBITAL SODIUM [USP IMPURITY]
    • SECOBARBITAL SODIUM (USP MONOGRAPH)
    • SECOBARBITAL SODIUM [USP MONOGRAPH]
    • EINECS 206-218-4
    • NSC 10818
    • Secobarbital sodium [JAN]
    • UNII-XBP604F6UM
    • 5-Allyl-5(1-methylbutyl)barbituric acid sodium derivative
    • Propylmethylcarbinylallyl barbituric acid sodium salt
    • Sodium, Secobarbital
    • Seconal sodium (TN)
    • Secobarbital sodium [USP:INN:BAN:JAN]
    • DTXCID102019
    • Secobarbital sodium (JAN/USP)
    • CHEMBL1200903
    • SECOBARBITAL SODIUM [MI]
    • CHEBI:32124
    • SECOBARBITAL SODIUM [VANDF]
    • SECOBARBITAL SODIUM [WHO-DD]
    • SECOBARBITAL SODIUM [GREEN BOOK]
    • SECOBARBITAL SODIUM [ORANGE BOOK]
    • D01310
    • Q27293769
    • sodium;5-pentan-2-yl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione
    • sodium 2,4,6-trioxo-5-(pentan-2-yl)-5-(prop-2-en-1-yl)tetrahydro-2H-pyrimidin-1-ide
    • 206-218-4

  • Applications

    Secobarbital Sodium (CAS 309-43-3) is primarily used in pharmaceuticals as a short-acting sedative/hypnotic and is considered for certain short-duration anesthesia procedures in medical settings; in research and development, it often serves as a reference standard and calibrant for analytical methods that quantify barbiturates and sedatives; in the field of forensic toxicology and analytical toxicology, it is used to identify its presence and support testing of samples; because it is a controlled substance, handling, transport, and use are subject to strict regulatory and compliance requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.44
    methanol 108.11
    isopropanol 64.27
    water 0.16
    ethyl acetate 66.33
    n-propanol 74.16
    acetone 147.34
    n-butanol 73.92
    acetonitrile 40.49
    DMF 524.98
    toluene 35.63
    isobutanol 55.27
    1,4-dioxane 97.42
    methyl acetate 79.46
    THF 454.45
    2-butanone 141.7
    n-pentanol 47.06
    sec-butanol 59.88
    n-hexane 0.84
    ethylene glycol 27.17
    NMP 610.57
    cyclohexane 1.46
    DMSO 458.28
    n-butyl acetate 48.32
    n-octanol 6.68
    chloroform 137.63
    n-propyl acetate 35.68
    acetic acid 93.2
    dichloromethane 150.88
    cyclohexanone 254.7
    propylene glycol 54.06
    isopropyl acetate 48.12
    DMAc 368.66
    2-ethoxyethanol 72.94
    isopentanol 65.45
    n-heptane 0.35
    ethyl formate 59.66
    1,2-dichloroethane 125.02
    n-hexanol 43.77
    2-methoxyethanol 196.64
    isobutyl acetate 26.6
    tetrachloromethane 12.57
    n-pentyl acetate 27.41
    transcutol 64.61
    n-heptanol 14.85
    ethylbenzene 13.25
    MIBK 68.1
    2-propoxyethanol 123.73
    tert-butanol 70.68
    MTBE 28.76
    2-butoxyethanol 46.93
    propionic acid 80.44
    o-xylene 21.07
    formic acid 50.37
    diethyl ether 21.76
    m-xylene 25.17
    p-xylene 18.12
    chlorobenzene 62.59
    dimethyl carbonate 53.88
    n-octane 0.21
    formamide 78.69
    cyclopentanone 421.75
    2-pentanone 110.02
    anisole 35.97
    cyclopentyl methyl ether 91.33
    gamma-butyrolactone 402.39
    1-methoxy-2-propanol 158.77
    pyridine 144.05
    3-pentanone 66.07
    furfural 250.87
    n-dodecane 0.21
    diethylene glycol 97.28
    diisopropyl ether 6.33
    tert-amyl alcohol 59.16
    acetylacetone 125.17
    n-hexadecane 0.25
    acetophenone 56.79
    methyl propionate 90.74
    isopentyl acetate 52.81
    trichloroethylene 281.54
    n-nonanol 7.07
    cyclohexanol 63.48
    benzyl alcohol 60.49
    2-ethylhexanol 19.02
    isooctanol 12.97
    dipropyl ether 8.38
    1,2-dichlorobenzene 57.5
    ethyl lactate 36.25
    propylene carbonate 170.76
    n-methylformamide 169.63
    2-pentanol 36.65
    n-pentane 0.82
    1-propoxy-2-propanol 65.32
    1-methoxy-2-propyl acetate 79.42
    2-(2-methoxypropoxy) propanol 45.15
    mesitylene 12.95
    ε-caprolactone 185.34
    p-cymene 9.07
    epichlorohydrin 398.66
    1,1,1-trichloroethane 78.8
    2-aminoethanol 58.93
    morpholine-4-carbaldehyde 275.61
    sulfolane 531.04
    2,2,4-trimethylpentane 1.13
    2-methyltetrahydrofuran 188.74
    n-hexyl acetate 30.64
    isooctane 0.88
    2-(2-butoxyethoxy)ethanol 45.98
    sec-butyl acetate 28.11
    tert-butyl acetate 59.83
    decalin 1.64
    glycerin 81.2
    diglyme 78.31
    acrylic acid 79.43
    isopropyl myristate 10.34
    n-butyric acid 113.92
    acetyl acetate 41.21
    di(2-ethylhexyl) phthalate 25.49
    ethyl propionate 36.97
    nitromethane 156.49
    1,2-diethoxyethane 19.52
    benzonitrile 63.09
    trioctyl phosphate 15.49
    1-bromopropane 39.95
    gamma-valerolactone 406.52
    n-decanol 5.2
    triethyl phosphate 22.36
    4-methyl-2-pentanol 24.84
    propionitrile 48.82
    vinylene carbonate 127.62
    1,1,2-trichlorotrifluoroethane 181.69
    DMS 46.18
    cumene 10.42
    2-octanol 8.1
    2-hexanone 51.8
    octyl acetate 15.49
    limonene 11.91
    1,2-dimethoxyethane 102.18
    ethyl orthosilicate 18.51
    tributyl phosphate 18.42
    diacetone alcohol 117.91
    N,N-dimethylaniline 27.93
    acrylonitrile 82.33
    aniline 69.07
    1,3-propanediol 96.31
    bromobenzene 57.36
    dibromomethane 83.65
    1,1,2,2-tetrachloroethane 189.41
    2-methyl-cyclohexyl acetate 37.59
    tetrabutyl urea 27.89
    diisobutyl methanol 10.21
    2-phenylethanol 58.7
    styrene 14.51
    dioctyl adipate 22.22
    dimethyl sulfate 130.09
    ethyl butyrate 29.07
    methyl lactate 80.13
    butyl lactate 33.45
    diethyl carbonate 21.85
    propanediol butyl ether 33.86
    triethyl orthoformate 21.01
    p-tert-butyltoluene 8.61
    methyl 4-tert-butylbenzoate 49.17
    morpholine 174.75
    tert-butylamine 21.81
    n-dodecanol 3.66
    dimethoxymethane 159.69
    ethylene carbonate 99.41
    cyrene 102.2
    2-ethoxyethyl acetate 40.67
    2-ethylhexyl acetate 36.67
    1,2,4-trichlorobenzene 81.2
    4-methylpyridine 161.06
    dibutyl ether 4.59
    2,6-dimethyl-4-heptanol 10.21
    DEF 131.51
    dimethyl isosorbide 114.16
    tetrachloroethylene 93.43
    eugenol 54.3
    triacetin 34.07
    span 80 38.16
    1,4-butanediol 36.69
    1,1-dichloroethane 90.7
    2-methyl-1-pentanol 50.09
    methyl formate 117.13
    2-methyl-1-butanol 62.64
    n-decane 0.3
    butyronitrile 57.49
    3,7-dimethyl-1-octanol 10.33
    1-chlorooctane 3.16
    1-chlorotetradecane 1.39
    n-nonane 0.23
    undecane 0.25
    tert-butylcyclohexane 1.4
    cyclooctane 0.48
    cyclopentanol 114.34
    tetrahydropyran 92.63
    tert-amyl methyl ether 29.76
    2,5,8-trioxanonane 56.56
    1-hexene 6.38
    2-isopropoxyethanol 48.18
    2,2,2-trifluoroethanol 38.73
    methyl butyrate 56.32

    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