Quinethazone

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  • Identifiers

    CAS number
    73-49-4

    Molecular formula
    C10H12ClN3O3S

    SMILES
    CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl

  • Odor profile

    Fragrance
    Odorless 85.55%
    Savory 23.12%
    Cooked 20.01%
    Roasted 18.6%
    Meaty 16.94%
    Bitter 16.83%
    Cooling 14.88%
    Burnt 14.63%
    Popcorn 13.91%
    Pungent 11.91%

     

    Flavor
    Bitter 90.57%
    Odorless 35.11%
    Bland 21.93%
    Nitrile 19.7%
    Sweet-like 18.74%
    Taco 18.59%
    Cedarleaf 18.52%
    Bread crust 18.19%
    Roasted peanuts 18.13%
    Very strong 18.0%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.83 (weak base)

    Molecular weight
    289.74 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    621°C

    Melting point expt.

    • 482 to 486 °F (NTP, 1992)
    • 251 °C
    • 250-252 °C

    Flash point

    • 278.88 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 67.1 °F (NTP, 1992)
    • 150 mg/L (at 25 °C)
    • Sol in acetone, alcohol.
    • 1 G SOL IN 20 ML POLYETHYLENE GLYCOL 300
    • 1 G SOL IN 125 ML PROPYLENE GLYCOL
    • 1 G SOL IN 500 ML ALCOHOL
    • For more Solubility (Complete) data for QUINETHAZONE (8 total), please visit the HSDB record page.
    • 2.51e+00 g/L

  • Synonyms

    • QUINETHAZONE
    • 73-49-4
    • Chinethazonum
    • Quinethazon
    • Hydromox
    • Quinethazonum
    • Aquamox
    • Idrokin
    • Chinetazone
    • Quinetazona
    • Chinetazone [DCIT]
    • Quinetazona [INN-Spanish]
    • Quinethazonum [INN-Latin]
    • CL 36010
    • 7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
    • CCRIS 6098
    • QUINETHAZONE (1.5 G)
    • HSDB 3392
    • EINECS 200-801-7
    • 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide
    • NSC-759904
    • BRN 0818554
    • CHEBI:8717
    • 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
    • DTXSID9023548
    • UNII-455E0S048W
    • 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-sulfamoylquinazoline
    • 7-Chloro-2-ethyl-6-sulfamoyl-1,2,3,4-tetrahydro-4-quinazolinone
    • 6-Quinazolinesulfonamide, 7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-
    • 455E0S048W
    • 2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxochinazolin-6-sulfonamid
    • DTXCID703548
    • Quinethazone [USP:INN:BAN:JAN]
    • 5-25-09-00214 (Beilstein Handbook Reference)
    • NSC 759904
    • HYDROMOX R COMPONENT QUINETHAZONE
    • 2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxoquinazoline-6-sulfonamide
    • 6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-ethyl-4-oxo-
    • Quinetazona (INN-Spanish)
    • Quinethazonum (INN-Latin)
    • QUINETHAZONE (MART.)
    • QUINETHAZONE [MART.]
    • Quinethazone (aquamox)
    • Chinethazone
    • Quinethazone (USP:INN:BAN:JAN)
    • Hydromox (TN)
    • Quinethazone (JAN/INN)
    • quinetazone
    • CAS-73-49-4
    • NCGC00016313-01
    • starbld0009648
    • Prestwick0_001050
    • Prestwick1_001050
    • Prestwick2_001050
    • Prestwick3_001050
    • QUINETHAZONE [MI]
    • QUINETHAZONE [INN]
    • QUINETHAZONE [JAN]
    • QUINETHAZONE [HSDB]
    • CHEMBL1532
    • QUINETHAZONE [VANDF]
    • BSPBio_000980
    • MLS002154126
    • QUINETHAZONE [WHO-DD]
    • SCHEMBL301310
    • SPBio_002910
    • BPBio1_001078
    • GTPL7289
    • BDBM25898
    • C03BA02
    • HMS1571A22
    • HMS2098A22
    • HMS2234O04
    • HMS3370M01
    • HMS3715A22
    • Pharmakon1600-01503877
    • QUINETHAZONE [ORANGE BOOK]
    • AAA07349
    • BCP07451
    • HY-B1364
    • Tox21_110366
    • AC8883
    • EX-A11114
    • MFCD00867329
    • NSC759904
    • ZINC00000686
    • AKOS040753678
    • Tox21_110366_1
    • CCG-213232
    • DB01325
    • NCGC00179351-03
    • DA-57307
    • SMR001233433
    • SY250224
    • QUINETHAZONE COMPONENT OF HYDROMOX R
    • AB00514022
    • CS-0013105
    • NS00037523
    • C07342
    • D00461
    • AB00514022_06
    • EN300-18568085
    • SR-01000841190
    • Q7272222
    • SR-01000841190-2
    • BRD-A59303141-001-03-9
    • BRD-A59303141-001-10-4
    • 2-Ethyl-7-chloro-2,3-dihydro-4(1H)-quinazolone-6-sulfonamide
    • 7-chloro-2-ethyl-4-hydroxy-1,2-dihydroquinazoline-6-sulfonamide
    • 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinzaolinesulfonamide
    • 200-801-7

  • Applications

    Quinethazone is primarily used as an active pharmaceutical ingredient in diuretic formulations and is considered a chemical intermediate or precursor in the synthesis of thiazide-like diuretics; in laboratory settings it can serve as an analytical reference or QC standard and as a tool in method development for quality control; in pharmacology and toxicology research, quinethazone is used as a reference compound to evaluate biological properties and interactions of related drug classes; it is also used as a basis for research and development programs aiming to develop and evaluate related diuretic compounds within the pharmaceutical industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.09
    methanol 7.72
    isopropanol 0.94
    water 0.31
    ethyl acetate 1.9
    n-propanol 1.13
    acetone 8.67
    n-butanol 0.7
    acetonitrile 4.33
    DMF 132.82
    toluene 0.06
    isobutanol 0.5
    1,4-dioxane 3.49
    methyl acetate 3.39
    THF 10.7
    2-butanone 5.64
    n-pentanol 0.42
    sec-butanol 0.63
    n-hexane 0.01
    ethylene glycol 6.93
    NMP 130.01
    cyclohexane 0.01
    DMSO 90.14
    n-butyl acetate 2.39
    n-octanol 0.24
    chloroform 0.28
    n-propyl acetate 2.15
    acetic acid 13.64
    dichloromethane 0.53
    cyclohexanone 6.2
    propylene glycol 9.04
    isopropyl acetate 1.29
    DMAc 102.71
    2-ethoxyethanol 11.44
    isopentanol 0.56
    n-heptane 0.02
    ethyl formate 4.65
    1,2-dichloroethane 0.59
    n-hexanol 0.45
    2-methoxyethanol 39.96
    isobutyl acetate 0.95
    tetrachloromethane 0.05
    n-pentyl acetate 1.5
    transcutol 17.27
    n-heptanol 0.49
    ethylbenzene 0.05
    MIBK 1.43
    2-propoxyethanol 12.89
    tert-butanol 0.78
    MTBE 0.27
    2-butoxyethanol 6.34
    propionic acid 4.96
    o-xylene 0.09
    formic acid 29.41
    diethyl ether 0.37
    m-xylene 0.07
    p-xylene 0.12
    chlorobenzene 0.21
    dimethyl carbonate 5.4
    n-octane 0.01
    formamide 53.06
    cyclopentanone 20.04
    2-pentanone 2.74
    anisole 0.66
    cyclopentyl methyl ether 0.92
    gamma-butyrolactone 32.56
    1-methoxy-2-propanol 18.95
    pyridine 3.69
    3-pentanone 1.85
    furfural 35.46
    n-dodecane 0.01
    diethylene glycol 23.08
    diisopropyl ether 0.08
    tert-amyl alcohol 0.59
    acetylacetone 9.08
    n-hexadecane 0.01
    acetophenone 2.46
    methyl propionate 3.51
    isopentyl acetate 1.97
    trichloroethylene 1.47
    n-nonanol 0.28
    cyclohexanol 0.39
    benzyl alcohol 1.38
    2-ethylhexanol 0.32
    isooctanol 0.4
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.33
    ethyl lactate 5.74
    propylene carbonate 12.34
    n-methylformamide 38.03
    2-pentanol 0.31
    n-pentane 0.01
    1-propoxy-2-propanol 7.13
    1-methoxy-2-propyl acetate 7.34
    2-(2-methoxypropoxy) propanol 7.83
    mesitylene 0.07
    ε-caprolactone 7.31
    p-cymene 0.17
    epichlorohydrin 11.46
    1,1,1-trichloroethane 0.24
    2-aminoethanol 7.12
    morpholine-4-carbaldehyde 74.19
    sulfolane 60.36
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.98
    n-hexyl acetate 1.11
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.89
    sec-butyl acetate 0.91
    tert-butyl acetate 1.61
    decalin 0.01
    glycerin 33.17
    diglyme 18.87
    acrylic acid 9.42
    isopropyl myristate 0.5
    n-butyric acid 4.45
    acetyl acetate 2.35
    di(2-ethylhexyl) phthalate 1.95
    ethyl propionate 1.73
    nitromethane 54.64
    1,2-diethoxyethane 1.99
    benzonitrile 1.76
    trioctyl phosphate 0.99
    1-bromopropane 0.12
    gamma-valerolactone 60.96
    n-decanol 0.21
    triethyl phosphate 1.82
    4-methyl-2-pentanol 0.23
    propionitrile 1.67
    vinylene carbonate 10.91
    1,1,2-trichlorotrifluoroethane 25.56
    DMS 3.15
    cumene 0.06
    2-octanol 0.22
    2-hexanone 1.81
    octyl acetate 0.79
    limonene 0.21
    1,2-dimethoxyethane 15.15
    ethyl orthosilicate 1.26
    tributyl phosphate 1.19
    diacetone alcohol 6.5
    N,N-dimethylaniline 0.68
    acrylonitrile 5.31
    aniline 0.53
    1,3-propanediol 8.56
    bromobenzene 0.12
    dibromomethane 0.19
    1,1,2,2-tetrachloroethane 1.09
    2-methyl-cyclohexyl acetate 2.04
    tetrabutyl urea 2.61
    diisobutyl methanol 0.25
    2-phenylethanol 1.69
    styrene 0.07
    dioctyl adipate 1.76
    dimethyl sulfate 18.49
    ethyl butyrate 2.21
    methyl lactate 15.39
    butyl lactate 4.25
    diethyl carbonate 1.93
    propanediol butyl ether 5.78
    triethyl orthoformate 1.97
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 4.67
    morpholine 6.96
    tert-butylamine 0.18
    n-dodecanol 0.16
    dimethoxymethane 17.58
    ethylene carbonate 6.53
    cyrene 21.65
    2-ethoxyethyl acetate 4.67
    2-ethylhexyl acetate 1.29
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.82
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.25
    DEF 7.68
    dimethyl isosorbide 17.37
    tetrachloroethylene 0.64
    eugenol 6.52
    triacetin 5.41
    span 80 4.98
    1,4-butanediol 2.61
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 0.37
    methyl formate 26.05
    2-methyl-1-butanol 0.48
    n-decane 0.01
    butyronitrile 1.25
    3,7-dimethyl-1-octanol 0.27
    1-chlorooctane 0.06
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.28
    tetrahydropyran 0.83
    tert-amyl methyl ether 0.33
    2,5,8-trioxanonane 13.9
    1-hexene 0.04
    2-isopropoxyethanol 4.32
    2,2,2-trifluoroethanol 8.84
    methyl butyrate 3.19

    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