Mitotane

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  • Identifiers

    CAS number
    53-19-0

    Molecular formula
    C14H10Cl4

    SMILES
    C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Floral 63.47%
    Rose 39.14%
    Animal 31.89%
    Fruity 30.49%
    Sweet 27.98%
    Balsamic 26.27%
    Green 25.44%
    Lily 25.43%
    Neroli 24.47%
    Honey 24.14%

     

    Flavor
    Bitter 32.08%
    Odorless 25.81%
    Mild 23.98%
    Nitrile 19.93%
    Very strong 18.96%
    Indole 18.62%
    Bloody 18.56%
    Glue 18.22%
    Turnup 18.19%
    Penetrating 18.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    7.33 (neutral)

    Molecular weight
    320.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Melting point expt.

    • 171 to 172 °F (NTP, 1992)
    • 77 °C

    Flash point

    • 164.34 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)
    • 0.1 mg/L (at 25 °C)
    • Sol in ethanol, isooctane, carbon tetrachloride
    • In water, 0.10 mg/L at 25 °C
    • 9.42e-06 g/L

  • Synonyms

    • mitotane
    • 53-19-0
    • Mitotan
    • Lysodren
    • Chlodithane
    • Chloditan
    • o,p'-DDD
    • 2,4'-Ddd
    • Mitotano
    • Opeprim
    • o,p'-TDE
    • 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
    • o,p-Tde
    • 1-Chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)benzene
    • Mitotanum
    • NCI-C04933
    • 2,4'-Dichlorodiphenyldichloroethane
    • o,p'-Dichlorodiphenyldichloroethane
    • CB 313
    • CB-313
    • NSC-38721
    • NSC 38721
    • O,p'-ddd,o p'-tde
    • DTXSID9020372
    • 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
    • (o,p)-DDD
    • 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane
    • 1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane
    • NSC38721
    • 2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane
    • 78E4J5IB5J
    • Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-
    • Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-
    • DTXCID30372
    • 1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene
    • Khloditan
    • Mytotan
    • ortho,para-DDD
    • ortho,para DDD
    • 1-chloro-4-(2,2-dichloro-1-(2-chlorophenyl)ethyl)benzene
    • Lisodren
    • Opddd
    • RefChem:56621
    • L01XX23
    • 2, 4'-Dichlorodiphenyldichloroethane
    • WR-13045
    • 1, 1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
    • 2, 2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane
    • 200-166-6
    • Khlodithan
    • Chlodithan
    • 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane
    • Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-
    • 2,4'-Dichlorophenyldichlorethane
    • MFCD00000850
    • 2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane
    • Mitotane (Lysodren)
    • 1,1-Dichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl)ethane
    • (2,4'-Dichlorodiphenyl)dichloroethane
    • Benzene, 1-chloro-2-(2,2-dichloro-1-(4-chlorophenyl)ethyl)-
    • 2,4-Ddd
    • Mitotane (Lsodren)
    • Mitotanum [INN-Latin]
    • NCGC00015226-07
    • 2,4'-DDD 10 microg/mL in Cyclohexane
    • 2,4'-DDD 100 microg/mL in Cyclohexane
    • Mitotano [INN-Spanish]
    • 2,4'-DDD;o,p'-DDD
    • 1261396-21-7
    • CB313
    • DDD, o,p'-
    • CAS-53-19-0
    • Lysodren (TN)
    • SMR000326696
    • CCRIS 4397
    • HSDB 3240
    • SR-01000075751
    • EINECS 200-166-6
    • Mitotane (JAN/USP/INN)
    • BRN 2056007
    • UNII-78E4J5IB5J
    • AI3-07575
    • Prestwick_75
    • Ethane,1-dichloro-
    • Mitotane (Standard)
    • Mitotane [USAN:USP:INN:BAN:JAN]
    • Spectrum_001959
    • MITOTANE [HSDB]
    • MITOTANE [USAN]
    • DDD-o,p'
    • MITOTANE [INN]
    • MITOTANE [JAN]
    • MITOTANE [MI]
    • MITOTANE [VANDF]
    • (+-)-1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
    • Spectrum2_000916
    • Spectrum3_000869
    • Spectrum4_000709
    • Spectrum5_002060
    • MITOTANE [MART.]
    • MITOTANE [USP-RS]
    • MITOTANE [WHO-DD]
    • C 3010
    • (o,p')-DDD
    • SCHEMBL4040
    • CHEMBL1670
    • MITOTANE [EMA EPAR]
    • Lopac0_000251
    • WLN: GYGYR BG&R DG
    • BSPBio_002517
    • KBioGR_001237
    • KBioSS_002513
    • SPECTRUM330082
    • Mitotane - Bio-X trade mark
    • MLS001335899
    • MLS001335900
    • MLS002152914
    • MLS002153233
    • 2,4-DDD;o,p'-DDD
    • DivK1c_000703
    • SPBio_000792
    • MITOTANE [ORANGE BOOK]
    • CHEBI:6954
    • GTPL6957
    • orb1309439
    • orb3025313
    • MITOTANE [USP IMPURITY]
    • 53-19-0

  • Applications

    Mitotane (CAS 53-19-0) is primarily used as an active pharmaceutical ingredient for the treatment of adrenocortical carcinoma, where it acts as an adrenolytic agent to reduce adrenal cortex tissue. Beyond its clinical use, it serves as a research tool in endocrinology and oncology to study adrenal gland function and tumor biology. In pharmaceutical development, mitotane may be evaluated for formulation research and process development as an API. It is also employed as a reference compound in toxicology and pharmacokinetic studies of chlorinated aromatic hydrocarbons, supporting safety assessment of related chemicals. Its handling and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.84
    methanol 18.86
    isopropanol 20.81
    water 0.01
    ethyl acetate 112.54
    n-propanol 39.23
    acetone 169.51
    n-butanol 41.51
    acetonitrile 30.01
    DMF 204.69
    toluene 215.44
    isobutanol 28.81
    1,4-dioxane 248.47
    methyl acetate 103.56
    THF 473.9
    2-butanone 170.07
    n-pentanol 55.04
    sec-butanol 32.91
    n-hexane 1.56
    ethylene glycol 5.15
    NMP 125.68
    cyclohexane 3.25
    DMSO 74.72
    n-butyl acetate 145.82
    n-octanol 45.64
    chloroform 438.76
    n-propyl acetate 128.59
    acetic acid 33.73
    dichloromethane 393.24
    cyclohexanone 245.16
    propylene glycol 12.52
    isopropyl acetate 80.16
    DMAc 259.73
    2-ethoxyethanol 108.23
    isopentanol 41.49
    n-heptane 9.85
    ethyl formate 79.56
    1,2-dichloroethane 194.62
    n-hexanol 64.07
    2-methoxyethanol 117.17
    isobutyl acetate 104.4
    tetrachloromethane 27.15
    n-pentyl acetate 119.49
    transcutol 394.91
    n-heptanol 48.41
    ethylbenzene 101.17
    MIBK 91.91
    2-propoxyethanol 131.38
    tert-butanol 29.88
    MTBE 65.62
    2-butoxyethanol 93.62
    propionic acid 25.25
    o-xylene 82.57
    formic acid 7.7
    diethyl ether 59.11
    m-xylene 92.54
    p-xylene 102.98
    chlorobenzene 166.12
    dimethyl carbonate 73.64
    n-octane 5.9
    formamide 21.65
    cyclopentanone 284.81
    2-pentanone 143.6
    anisole 222.05
    cyclopentyl methyl ether 134.33
    gamma-butyrolactone 210.75
    1-methoxy-2-propanol 90.25
    pyridine 346.76
    3-pentanone 102.65
    furfural 269.93
    n-dodecane 6.89
    diethylene glycol 65.96
    diisopropyl ether 24.11
    tert-amyl alcohol 37.87
    acetylacetone 192.15
    n-hexadecane 8.18
    acetophenone 195.64
    methyl propionate 101.29
    isopentyl acetate 142.91
    trichloroethylene 607.55
    n-nonanol 48.36
    cyclohexanol 52.36
    benzyl alcohol 145.86
    2-ethylhexanol 64.57
    isooctanol 46.07
    dipropyl ether 89.49
    1,2-dichlorobenzene 140.72
    ethyl lactate 54.46
    propylene carbonate 126.4
    n-methylformamide 56.14
    2-pentanol 30.51
    n-pentane 1.44
    1-propoxy-2-propanol 109.7
    1-methoxy-2-propyl acetate 167.92
    2-(2-methoxypropoxy) propanol 116.68
    mesitylene 45.11
    ε-caprolactone 189.34
    p-cymene 64.59
    epichlorohydrin 375.37
    1,1,1-trichloroethane 161.1
    2-aminoethanol 15.28
    morpholine-4-carbaldehyde 229.8
    sulfolane 151.1
    2,2,4-trimethylpentane 3.79
    2-methyltetrahydrofuran 196.06
    n-hexyl acetate 115.09
    isooctane 3.3
    2-(2-butoxyethoxy)ethanol 148.02
    sec-butyl acetate 94.06
    tert-butyl acetate 102.37
    decalin 7.74
    glycerin 18.78
    diglyme 312.47
    acrylic acid 26.33
    isopropyl myristate 61.77
    n-butyric acid 58.82
    acetyl acetate 80.38
    di(2-ethylhexyl) phthalate 63.68
    ethyl propionate 100.06
    nitromethane 81.06
    1,2-diethoxyethane 209.52
    benzonitrile 157.82
    trioctyl phosphate 40.91
    1-bromopropane 97.29
    gamma-valerolactone 378.56
    n-decanol 39.32
    triethyl phosphate 58.89
    4-methyl-2-pentanol 26.6
    propionitrile 44.26
    vinylene carbonate 142.14
    1,1,2-trichlorotrifluoroethane 187.48
    DMS 108.42
    cumene 55.68
    2-octanol 41.89
    2-hexanone 145.41
    octyl acetate 69.12
    limonene 79.03
    1,2-dimethoxyethane 284.86
    ethyl orthosilicate 61.07
    tributyl phosphate 49.58
    diacetone alcohol 103.31
    N,N-dimethylaniline 127.74
    acrylonitrile 68.79
    aniline 126.89
    1,3-propanediol 31.11
    bromobenzene 204.13
    dibromomethane 213.34
    1,1,2,2-tetrachloroethane 334.74
    2-methyl-cyclohexyl acetate 112.2
    tetrabutyl urea 80.63
    diisobutyl methanol 42.51
    2-phenylethanol 141.67
    styrene 131.6
    dioctyl adipate 87.36
    dimethyl sulfate 85.16
    ethyl butyrate 126.77
    methyl lactate 50.51
    butyl lactate 83.39
    diethyl carbonate 79.11
    propanediol butyl ether 77.12
    triethyl orthoformate 95.55
    p-tert-butyltoluene 60.21
    methyl 4-tert-butylbenzoate 130.23
    morpholine 238.44
    tert-butylamine 17.75
    n-dodecanol 32.57
    dimethoxymethane 191.39
    ethylene carbonate 100.63
    cyrene 136.57
    2-ethoxyethyl acetate 183.57
    2-ethylhexyl acetate 124.08
    1,2,4-trichlorobenzene 176.31
    4-methylpyridine 309.29
    dibutyl ether 85.35
    2,6-dimethyl-4-heptanol 42.51
    DEF 137.11
    dimethyl isosorbide 253.51
    tetrachloroethylene 193.9
    eugenol 143.71
    triacetin 121.4
    span 80 89.23
    1,4-butanediol 19.36
    1,1-dichloroethane 164.47
    2-methyl-1-pentanol 58.66
    methyl formate 65.04
    2-methyl-1-butanol 41.18
    n-decane 10.58
    butyronitrile 63.26
    3,7-dimethyl-1-octanol 52.79
    1-chlorooctane 46.59
    1-chlorotetradecane 23.36
    n-nonane 8.57
    undecane 8.36
    tert-butylcyclohexane 8.53
    cyclooctane 2.01
    cyclopentanol 50.43
    tetrahydropyran 196.59
    tert-amyl methyl ether 67.1
    2,5,8-trioxanonane 227.75
    1-hexene 21.21
    2-isopropoxyethanol 87.91
    2,2,2-trifluoroethanol 16.65
    methyl butyrate 136.0

    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