Acetohexamide

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  • Identifiers

    CAS number
    968-81-0

    Molecular formula
    C15H20N2O4S

    SMILES
    CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2

  • Odor profile

    Fragrance
    Odorless 56.06%
    Savory 27.97%
    Cooked 27.83%
    Roasted 25.79%
    Meaty 24.89%
    Fruity 20.73%
    Cooling 18.23%
    Grape 17.39%
    Bitter 17.22%
    Burnt 16.5%

     

    Flavor
    Bitter 65.34%
    Odorless 34.01%
    Nitrile 21.06%
    Bland 20.95%
    Mild 20.77%
    Taco 19.8%
    Bread crust 19.5%
    Orange flower 19.2%
    Urine 19.19%
    Lovage 19.05%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.03 (neutral)

    Molecular weight
    324.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    607°C

    Melting point expt.

    • 370 to 374 °F (NTP, 1992)
    • 188-190 °C
    • 188 - 190 °C

    Flash point

    • 226.36 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • 3430 mg/L (at 37 °C)
    • PRACTICALLY INSOL IN WATER & ETHER; SLIGHTLY SOL IN ALCOHOL & CHLOROFORM; SOL IN PYRIDINE & DILUTE SOLN OF ALKALI HYDROXIDES
    • INSOL IN ETHYL ACETATE; SPARINGLY SOL IN DIOXANE
    • Soluble in pyridine; slightly soluble in alcohol, chloroform. Insoluble in ether.
    • In water, 0.00343 mg/l @ 37 °C
    • 4.83e-02 g/L

  • Synonyms

    • acetohexamide
    • 968-81-0
    • Dymelor
    • Acetohexamid
    • Dimelor
    • Gamadiabet
    • Hypoglicil
    • Metaglucina
    • Tsiklamid
    • Minoral
    • Ordimel
    • Acetohexamida
    • Acetohexamidum
    • 1-(4-acetylphenyl)sulfonyl-3-cyclohexylurea
    • N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea
    • 1-((p-Acetylphenyl)sulfonyl)-3-cyclohexylurea
    • CCRIS 4
    • NCI-C03247
    • Acetohexamidum [INN-Latin]
    • Acetohexamida [INN-Spanish]
    • 1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea
    • HSDB 3280
    • U-14812
    • UNII-QGC8W08I6I
    • EINECS 213-530-4
    • QGC8W08I6I
    • 4-Acetyl-N-((cyclohexylamino)carbonyl)benzenesulfonamide
    • 4-Acetyl-N-[(cyclohexylamino)carbonyl]benzenesulfonamide
    • NSC-759128
    • BRN 2225115
    • U 14812
    • DTXSID7020007
    • CHEBI:28052
    • N-(p-Acetylbenzenesulfonyl)-N'-cyclohexylurea
    • Benzenesulfonamide, 4-acetyl-N-[(cyclohexylamino)carbonyl]-
    • DTXCID707
    • Benzenesulfonamide, 4-acetyl-N-((cyclohexylamino)carbonyl)-
    • 3-(4-acetylbenzenesulfonyl)-1-cyclohexylurea
    • Acetohexamide-d11
    • Urea, 1-((p-acetylphenyl)sulfonyl)-3-cyclohexyl-
    • MFCD00072156
    • NSC 759128
    • Acetohexamide [USAN)
    • NCGC00015014-05
    • Acetohexamide [USAN:USP:INN:BAN:JAN]
    • CAS-968-81-0
    • 1-(4-acetylphenyl)sulfonyl-3-cyclohexyl-urea
    • 1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea
    • Acetohexamidum (INN-Latin)
    • ACETOHEXAMIDE [USAN]
    • 4-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
    • Acetohexamida (INN-Spanish)
    • Urea, 1-[(p-acetylphenyl)sulfonyl]-3-cyclohexyl-
    • ACETOHEXAMIDE (MART.)
    • ACETOHEXAMIDE [MART.]
    • 4-acetyl-N-(cyclohexylcarbamoyl)benzene-1-sulfonamide
    • dimelin (antidiabetic)
    • BENZENESULFONAMIDE, 4-ACETYL-N-((CYCLOHEXYLAMINO)CARBONYL)
    • ACETOHEXAMIDE (USP IMPURITY)
    • ACETOHEXAMIDE [USP IMPURITY]
    • Acetohexamide (USAN:USP:INN:BAN:JAN)
    • Dymelor (TN)
    • SR-01000075539
    • acetoesamide
    • 3-cyclohexyl-1-(p-acetylphenylsulfonyl)urea
    • Prestwick_3
    • 1-((4-acetylbenzene)sulfonyl)-3-cyclohexylurea 4-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
    • 1-[(4-acetylbenzene)sulfonyl]-3-cyclohexylurea 4-acetyl-N-(cyclohexylcarbamoyl)benzenesulfonamide
    • 2468796-77-0
    • GAMADIABER
    • 4-Acetyl-N-[(cyclohexylamino)-carbonyl]benzenesulfonamide
    • Lopac-A-178
    • Acetohexamide (Standard)
    • Prestwick0_000055
    • Prestwick1_000055
    • Prestwick2_000055
    • Prestwick3_000055
    • A-178
    • 1-(4-acetylbenzenesulfonyl)-3-cyclohexylurea
    • ACETOHEXAMIDE [MI]
    • ACETOHEXAMIDE [INN]
    • ACETOHEXAMIDE [JAN]
    • ACETOHEXAMIDE [HSDB]
    • CHEMBL1589
    • Lopac0_000088
    • SCHEMBL37620
    • ACETOHEXAMIDE [VANDF]
    • BSPBio_000209
    • MLS002154186
    • SPBio_002130
    • ACETOHEXAMIDE [WHO-DD]
    • BPBio1_000231
    • GTPL6793
    • HY-B0881R
    • A10BB31
    • Acetohexamide (JP17/USP/INN)
    • Acetohexamide, analytical standard
    • HMS1568K11
    • HMS2093H21
    • HMS2095K11
    • HMS2236M07
    • HMS3260A18
    • HMS3372B02
    • HMS3712K11
    • Pharmakon1600-01505425
    • ACETOHEXAMIDE [ORANGE BOOK]
    • BCP34666
    • HY-B0881
    • Tox21_110067
    • Tox21_202022
    • Tox21_302735
    • Tox21_500088
    • GS4036
    • NSC759128
    • s5717
    • AKOS015916290
    • Tox21_110067_1
    • CCG-204183
    • DB00414
    • FA16951
    • LP00088
    • SDCCGSBI-0050076.P003
    • NCGC00015014-01
    • NCGC00015014-02
    • NCGC00015014-03
    • NCGC00015014-04
    • NCGC00015014-06
    • NCGC00015014-07

  • Applications

    Acetohexamide is a first‑generation sulfonylurea used primarily as an active pharmaceutical ingredient (API) in the formulation of oral sulfonylurea‑based products; in the pharmaceutical industry it is managed in production and quality control, with roles in process development, analytical method validation, and regulatory documentation, and it may also serve as a reference compound in analytical laboratories and research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.53
    methanol 15.56
    isopropanol 4.87
    water 0.03
    ethyl acetate 6.48
    n-propanol 7.77
    acetone 32.75
    n-butanol 6.62
    acetonitrile 8.37
    DMF 219.07
    toluene 2.62
    isobutanol 3.83
    1,4-dioxane 11.81
    methyl acetate 9.77
    THF 87.22
    2-butanone 26.54
    n-pentanol 3.96
    sec-butanol 4.72
    n-hexane 0.08
    ethylene glycol 3.28
    NMP 230.41
    cyclohexane 0.22
    DMSO 187.24
    n-butyl acetate 6.76
    n-octanol 0.58
    chloroform 63.68
    n-propyl acetate 5.77
    acetic acid 25.45
    dichloromethane 52.77
    cyclohexanone 45.5
    propylene glycol 8.93
    isopropyl acetate 5.09
    DMAc 222.99
    2-ethoxyethanol 18.59
    isopentanol 5.22
    n-heptane 0.06
    ethyl formate 9.78
    1,2-dichloroethane 29.61
    n-hexanol 2.84
    2-methoxyethanol 50.25
    isobutyl acetate 2.67
    tetrachloromethane 1.9
    n-pentyl acetate 3.31
    transcutol 37.72
    n-heptanol 1.44
    ethylbenzene 1.22
    MIBK 7.97
    2-propoxyethanol 20.25
    tert-butanol 4.22
    MTBE 1.64
    2-butoxyethanol 9.31
    propionic acid 12.25
    o-xylene 1.69
    formic acid 19.82
    diethyl ether 2.26
    m-xylene 1.57
    p-xylene 1.86
    chlorobenzene 8.0
    dimethyl carbonate 11.56
    n-octane 0.03
    formamide 47.87
    cyclopentanone 103.86
    2-pentanone 15.98
    anisole 6.38
    cyclopentyl methyl ether 9.26
    gamma-butyrolactone 81.52
    1-methoxy-2-propanol 33.98
    pyridine 34.25
    3-pentanone 11.45
    furfural 77.08
    n-dodecane 0.02
    diethylene glycol 19.2
    diisopropyl ether 0.51
    tert-amyl alcohol 4.04
    acetylacetone 27.38
    n-hexadecane 0.03
    acetophenone 12.78
    methyl propionate 11.16
    isopentyl acetate 6.64
    trichloroethylene 97.2
    n-nonanol 0.68
    cyclohexanol 5.29
    benzyl alcohol 10.39
    2-ethylhexanol 1.61
    isooctanol 1.22
    dipropyl ether 1.58
    1,2-dichlorobenzene 8.41
    ethyl lactate 9.21
    propylene carbonate 31.65
    n-methylformamide 52.92
    2-pentanol 2.5
    n-pentane 0.09
    1-propoxy-2-propanol 11.7
    1-methoxy-2-propyl acetate 15.75
    2-(2-methoxypropoxy) propanol 14.72
    mesitylene 0.85
    ε-caprolactone 30.07
    p-cymene 0.98
    epichlorohydrin 96.69
    1,1,1-trichloroethane 12.45
    2-aminoethanol 9.5
    morpholine-4-carbaldehyde 91.74
    sulfolane 173.7
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 20.52
    n-hexyl acetate 2.97
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 14.77
    sec-butyl acetate 3.56
    tert-butyl acetate 6.65
    decalin 0.12
    glycerin 21.05
    diglyme 30.69
    acrylic acid 17.25
    isopropyl myristate 1.24
    n-butyric acid 16.41
    acetyl acetate 7.0
    di(2-ethylhexyl) phthalate 4.33
    ethyl propionate 5.54
    nitromethane 59.19
    1,2-diethoxyethane 4.68
    benzonitrile 10.54
    trioctyl phosphate 2.14
    1-bromopropane 6.14
    gamma-valerolactone 109.42
    n-decanol 0.51
    triethyl phosphate 5.03
    4-methyl-2-pentanol 1.65
    propionitrile 6.94
    vinylene carbonate 27.12
    1,1,2-trichlorotrifluoroethane 83.7
    DMS 7.68
    cumene 0.87
    2-octanol 0.62
    2-hexanone 9.33
    octyl acetate 1.87
    limonene 1.34
    1,2-dimethoxyethane 26.44
    ethyl orthosilicate 3.89
    tributyl phosphate 3.0
    diacetone alcohol 19.54
    N,N-dimethylaniline 4.81
    acrylonitrile 15.28
    aniline 9.72
    1,3-propanediol 14.92
    bromobenzene 6.57
    dibromomethane 22.53
    1,1,2,2-tetrachloroethane 70.48
    2-methyl-cyclohexyl acetate 6.94
    tetrabutyl urea 5.51
    diisobutyl methanol 1.05
    2-phenylethanol 8.93
    styrene 1.95
    dioctyl adipate 4.47
    dimethyl sulfate 39.12
    ethyl butyrate 5.98
    methyl lactate 22.18
    butyl lactate 6.98
    diethyl carbonate 4.89
    propanediol butyl ether 8.64
    triethyl orthoformate 4.67
    p-tert-butyltoluene 0.84
    methyl 4-tert-butylbenzoate 11.47
    morpholine 27.42
    tert-butylamine 1.41
    n-dodecanol 0.38
    dimethoxymethane 37.91
    ethylene carbonate 16.9
    cyrene 30.61
    2-ethoxyethyl acetate 7.44
    2-ethylhexyl acetate 4.73
    1,2,4-trichlorobenzene 14.2
    4-methylpyridine 23.72
    dibutyl ether 0.69
    2,6-dimethyl-4-heptanol 1.05
    DEF 26.56
    dimethyl isosorbide 36.26
    tetrachloroethylene 27.63
    eugenol 13.61
    triacetin 8.52
    span 80 10.07
    1,4-butanediol 4.34
    1,1-dichloroethane 15.98
    2-methyl-1-pentanol 3.87
    methyl formate 28.94
    2-methyl-1-butanol 4.97
    n-decane 0.04
    butyronitrile 7.54
    3,7-dimethyl-1-octanol 0.97
    1-chlorooctane 0.29
    1-chlorotetradecane 0.13
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 11.63
    tetrahydropyran 9.73
    tert-amyl methyl ether 2.15
    2,5,8-trioxanonane 24.03
    1-hexene 0.56
    2-isopropoxyethanol 8.74
    2,2,2-trifluoroethanol 12.93
    methyl butyrate 9.85

    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