Chloral Hydrate

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  • Identifiers

    CAS number
    302-17-0

    Molecular formula
    C2H3Cl3O2

    SMILES
    C(C(Cl)(Cl)Cl)(O)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Odorless 63.49%
    Sweet 37.25%
    Cooling 19.89%
    Bitter 19.09%
    Woody 19.01%
    Balsamic 18.57%
    Clean 17.95%
    Fishy 17.56%
    Dry 16.17%
    Alcoholic 15.75%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    5.81 (weak acid)

    Molecular weight
    165.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 135 °F (NTP, 1992)
    • 57 °C
    • MP: 57 °C when heated in an open vessel. BP 98 °C with dissociation into chloral and water.
    • 57-60 °C

    Boiling point

    • 207.5 °F at 760 mmHg (NTP, 1992)
    • 98 °C
    • 96 °C (decomposes)

    Flash point est.
    94.88 ˚C

    Solubility expt.

    • greater than or equal to 10 mg/mL at 68.9 °F (NTP, 1992)
    • 793000 mg/L (at 25 °C)
    • Freely soluble in acetone, methyl ethyl ketone. Moderately or sparingly soluble in turpentine, petroleum ether, carbon tetrachloride, benzene, toluene.
    • Very soluble in benzene, ethyl ether, and ethanol.
    • In water, 7.93X10+5 mg/L at 25 °C
    • Solubility in water: very good

  • Synonyms

    • chloral hydrate
    • 302-17-0
    • 2,2,2-Trichloroethane-1,1-diol
    • Trichloroacetaldehyde hydrate
    • Noctec
    • Tosyl
    • Chloral monohydrate
    • Chloraldurat
    • Phaldrone
    • Nycoton
    • Chloralhydrate
    • Chloradorm
    • Cohidrate
    • Felsules
    • Kessodrate
    • Oradrate
    • Rectules
    • Trawotox
    • Dormal
    • Lorinal
    • Nycton
    • Somnos
    • Sontec
    • Escre
    • Hynos
    • Knockout drops
    • Somni Sed
    • Aquachloral
    • 1,1-Ethanediol, 2,2,2-trichloro-
    • Somnote
    • SK-Chloral hydrate
    • Chlorali Hydras
    • Trichloracetaldehyd-hydrat
    • 2,2,2-Trichloro-1,1-ethanediol
    • Hydrate de chloral
    • Kloralhydrat
    • Chloralex
    • Chloralvan
    • Hydral
    • Novochlorhydrate
    • 1,1,1-Trichloro-2,2-ethanediol
    • Trichloroacetaldehyde monohydrate
    • 1,1,1-Trichloro-2,2-dihydroxyethane
    • Chloraldural
    • Chloralhydrat
    • Chloralum
    • Nortec
    • Cloral hydrate
    • Caswell No. 168
    • Bi 3411
    • NSC 3210
    • Chloraldural [Swiss]
    • Aquachloral Supprettes
    • Trichloroacetaldehyde, hydrated
    • CCRIS 4142
    • HSDB 222
    • Lycoral
    • DTXSID7020261
    • NSC-3210
    • EINECS 206-117-5
    • EPA Pesticide Chemical Code 268100
    • BRN 1698497
    • Ethanediol, 2,2,2-trichloro-
    • UNII-418M5916WG
    • CHEBI:28142
    • AI3-00082
    • 418M5916WG
    • DTXCID70261
    • Chloral hydrate [USP:BAN:JAN]
    • 4-01-00-03143 (Beilstein Handbook Reference)
    • Chloraldural (Swiss)
    • NCGC00159374-02
    • NCGC00159374-03
    • CHLORAL HYDRATE (IARC)
    • CHLORAL HYDRATE [IARC]
    • CLORAL HYDRATE (MART.)
    • CLORAL HYDRATE [MART.]
    • Chloraldurat [German]
    • Chloral hydrate (USP:BAN:JAN)
    • CHLORAL HYDRATE (EP IMPURITY)
    • CHLORAL HYDRATE [EP IMPURITY]
    • CHLORAL HYDRATE (EP MONOGRAPH)
    • CHLORAL HYDRATE [EP MONOGRAPH]
    • Hydrate, Chloral
    • CHLORAL HYDRATE (USP MONOGRAPH)
    • CHLORAL HYDRATE [USP MONOGRAPH]
    • CAS-302-17-0
    • Trichloracetaldehyd-hydrat [German]
    • DEA No. 2465
    • Noctec (TN)
    • trichloroethanal hydrate
    • WLN: QYQXGGG
    • CHLORALUM [HPUS]
    • CHLORAL, MONOHYDRATE
    • 1, 2,2,2-trichloro-
    • SCHEMBL34327
    • CHLORAL HYDRATE [MI]
    • CHLORAL HYDRATE [JAN]
    • Chloral hydrate (JP18/USP)
    • CHLORAL HYDRATE [HSDB]
    • CHEMBL455917
    • CHLORAL HYDRATE [VANDF]
    • 2,2-Trichloro-1,1-ethanediol
    • TRICHLOROETHYLIDENE GLYCOL
    • CHLORAL HYDRATE [WHO-DD]
    • CHLORAL HYDRATE [WHO-IP]
    • NSC3210
    • Chloral hydrate, p.a., 99.0%
    • BCP31225
    • 1,1-Trichloro-2,2-dihydroxyethane
    • Tox21_111614
    • Tox21_200110
    • CHLORAL HYDRATE [GREEN BOOK]
    • MFCD00044479
    • MSK10459W-1000M
    • STL445706
    • AKOS009157238
    • Tox21_111614_1
    • CHLORALI HYDRAS [WHO-IP LATIN]
    • DB01563
    • NCGC00159374-04
    • NCGC00257664-01
    • LS-12935
    • DB-047727
    • Chloral hydrate 1000 microg/mL in Methanol
    • NS00009274
    • Chloral hydrate, SAJ first grade, >=99.5%
    • Trichloro acetaldehyde hydrate Chloral hydrate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.02
    methanol 311.79
    isopropanol 155.49
    water 83.97
    ethyl acetate 39.01
    n-propanol 127.99
    acetone 207.5
    n-butanol 106.06
    acetonitrile 45.12
    DMF 1089.38
    toluene 9.35
    isobutanol 86.17
    1,4-dioxane 114.69
    methyl acetate 54.21
    THF 314.12
    2-butanone 95.92
    n-pentanol 68.29
    sec-butanol 111.2
    n-hexane 6.75
    ethylene glycol 163.07
    NMP 549.81
    cyclohexane 11.12
    DMSO 973.02
    n-butyl acetate 28.32
    n-octanol 35.61
    chloroform 15.36
    n-propyl acetate 33.48
    acetic acid 111.91
    dichloromethane 20.11
    cyclohexanone 84.69
    propylene glycol 127.68
    isopropyl acetate 36.05
    DMAc 701.77
    2-ethoxyethanol 221.62
    isopentanol 77.66
    n-heptane 13.0
    ethyl formate 60.19
    1,2-dichloroethane 26.74
    n-hexanol 47.15
    2-methoxyethanol 399.83
    isobutyl acetate 16.27
    tetrachloromethane 5.56
    n-pentyl acetate 28.45
    transcutol 162.37
    n-heptanol 38.36
    ethylbenzene 6.51
    MIBK 54.52
    2-propoxyethanol 139.41
    tert-butanol 183.15
    MTBE 87.14
    2-butoxyethanol 93.03
    propionic acid 57.6
    o-xylene 13.95
    formic acid 184.77
    diethyl ether 69.27
    m-xylene 10.77
    p-xylene 8.55
    chlorobenzene 4.91
    dimethyl carbonate 63.02
    n-octane 5.71
    formamide 287.71
    cyclopentanone 164.26
    2-pentanone 88.37
    anisole 31.63
    cyclopentyl methyl ether 96.3
    gamma-butyrolactone 138.06
    1-methoxy-2-propanol 297.54
    pyridine 51.74
    3-pentanone 59.06
    furfural 128.09
    n-dodecane 3.39
    diethylene glycol 160.27
    diisopropyl ether 25.58
    tert-amyl alcohol 139.97
    acetylacetone 92.8
    n-hexadecane 3.61
    acetophenone 38.27
    methyl propionate 65.21
    isopentyl acetate 23.99
    trichloroethylene 27.15
    n-nonanol 32.86
    cyclohexanol 69.65
    benzyl alcohol 40.42
    2-ethylhexanol 26.43
    isooctanol 30.03
    dipropyl ether 48.32
    1,2-dichlorobenzene 5.71
    ethyl lactate 52.67
    propylene carbonate 53.63
    n-methylformamide 310.72
    2-pentanol 78.6
    n-pentane 14.16
    1-propoxy-2-propanol 109.98
    1-methoxy-2-propyl acetate 56.27
    2-(2-methoxypropoxy) propanol 88.01
    mesitylene 10.92
    ε-caprolactone 66.27
    p-cymene 11.13
    epichlorohydrin 106.58
    1,1,1-trichloroethane 11.37
    2-aminoethanol 179.77
    morpholine-4-carbaldehyde 368.08
    sulfolane 320.81
    2,2,4-trimethylpentane 7.11
    2-methyltetrahydrofuran 117.87
    n-hexyl acetate 31.44
    isooctane 4.77
    2-(2-butoxyethoxy)ethanol 101.09
    sec-butyl acetate 21.74
    tert-butyl acetate 50.12
    decalin 3.62
    glycerin 216.72
    diglyme 193.4
    acrylic acid 59.94
    isopropyl myristate 18.28
    n-butyric acid 66.23
    acetyl acetate 20.33
    di(2-ethylhexyl) phthalate 21.65
    ethyl propionate 32.68
    nitromethane 199.14
    1,2-diethoxyethane 52.26
    benzonitrile 15.36
    trioctyl phosphate 20.22
    1-bromopropane 19.12
    gamma-valerolactone 209.95
    n-decanol 25.81
    triethyl phosphate 21.33
    4-methyl-2-pentanol 43.77
    propionitrile 34.81
    vinylene carbonate 37.01
    1,1,2-trichlorotrifluoroethane 123.43
    DMS 22.82
    cumene 6.87
    2-octanol 28.72
    2-hexanone 46.31
    octyl acetate 24.38
    limonene 20.6
    1,2-dimethoxyethane 286.99
    ethyl orthosilicate 21.81
    tributyl phosphate 18.58
    diacetone alcohol 125.43
    N,N-dimethylaniline 52.07
    acrylonitrile 46.19
    aniline 30.19
    1,3-propanediol 184.51
    bromobenzene 3.37
    dibromomethane 14.63
    1,1,2,2-tetrachloroethane 33.79
    2-methyl-cyclohexyl acetate 24.55
    tetrabutyl urea 43.95
    diisobutyl methanol 24.95
    2-phenylethanol 30.29
    styrene 7.01
    dioctyl adipate 29.54
    dimethyl sulfate 143.69
    ethyl butyrate 32.58
    methyl lactate 104.64
    butyl lactate 40.89
    diethyl carbonate 18.4
    propanediol butyl ether 82.53
    triethyl orthoformate 30.01
    p-tert-butyltoluene 13.83
    methyl 4-tert-butylbenzoate 63.04
    morpholine 200.39
    tert-butylamine 97.41
    n-dodecanol 20.47
    dimethoxymethane 334.86
    ethylene carbonate 31.97
    cyrene 115.27
    2-ethoxyethyl acetate 37.99
    2-ethylhexyl acetate 17.58
    1,2,4-trichlorobenzene 8.48
    4-methylpyridine 46.81
    dibutyl ether 24.75
    2,6-dimethyl-4-heptanol 24.95
    DEF 188.76
    dimethyl isosorbide 118.14
    tetrachloroethylene 23.47
    eugenol 63.77
    triacetin 42.76
    span 80 61.21
    1,4-butanediol 101.57
    1,1-dichloroethane 16.09
    2-methyl-1-pentanol 45.75
    methyl formate 192.78
    2-methyl-1-butanol 76.89
    n-decane 5.49
    butyronitrile 37.78
    3,7-dimethyl-1-octanol 28.82
    1-chlorooctane 10.74
    1-chlorotetradecane 5.67
    n-nonane 5.58
    undecane 4.17
    tert-butylcyclohexane 3.82
    cyclooctane 5.99
    cyclopentanol 111.16
    tetrahydropyran 76.34
    tert-amyl methyl ether 79.52
    2,5,8-trioxanonane 159.4
    1-hexene 13.3
    2-isopropoxyethanol 121.06
    2,2,2-trifluoroethanol 74.36
    methyl butyrate 51.7

    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