Iodoform

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  • Identifiers

    CAS number
    75-47-8

    Molecular formula
    CHI3

    SMILES
    C(I)(I)I

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.41%
    Fishy 36.2%
    Meaty 26.11%
    Cheesy 23.57%
    Savory 22.27%
    Sulfurous 22.02%
    Ripe 21.43%
    Green 20.25%
    Pungent 17.49%
    Cooked 16.93%

     

    Flavor
    Odorless 40.43%
    Sulfurous 26.47%
    Fishy 26.09%
    Sulfury 24.1%
    Meaty 23.83%
    Ammoniacal 22.38%
    Glue 19.22%
    Bloody 18.98%
    Mild 18.8%
    Rotten 18.67%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.000019 [mmHg]. Odor Threshold High: 1.1 [mmHg]. Odor threshold from AIHA
    • 5.0 ppb (detection in air, purity not specified)
    • Low: 0.0062 mg/cu m; High: 0.0833 mg/cu m

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    -7.12 (strong acid)

    Molecular weight
    393.732 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 248 °F (NTP, 1992)
    • 119-122
    • 119 °C
    • Enthalpy of melting @ mp: 3.9 kcal/mole; enthalpy of sublimation @ 298 K: 16.7 kcal/mole; specific heat @ 400 K: 19.60 cal/K.mole, @ 600 K: 21.52 cal/K.mole, @ 800 K: 22.64 cal/K.mole, @ 1000 K: 23.38 cal/K.mole
    • 246 °F

    Boiling point

    • 424 °F at 760 mmHg (Sublimes) (NTP, 1992)
    • 218 undefined
    • 218 °C
    • 424 °F (sublimes)
    • 410 °F (Decomposes)

    Flash point

    • 143.78 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)
    • Slightly soluble
    • SOL IN ACETIC ACID
    • 13.6 g/100 ml ether @ 25 °C
    • 7.8 g/100 ml ethanol @ 25 °C
    • One gram dissolves in 60 ml cold alcohol, 16 ml boiling alcohol, 10 ml chloroform, 7.5 ml ether, 80 ml glycerol, 3 ml carbon disulfide, 34 ml olive oil; freely sol in benzene, acetone, slightly sol in petr ether.
    • In water, 100 mg/l @ room temperature.
    • 0.01%

  • Synonyms

    • IODOFORM
    • Triiodomethane
    • 75-47-8
    • Methane, triiodo-
    • Carbon triiodide
    • Jodoform
    • Trijodmethane
    • CHI3
    • Dezinfekt V
    • Iodoformum
    • NCI-C04568
    • CCRIS 346
    • methyl triiodide
    • HSDB 4099
    • EINECS 200-874-5
    • NSC 26251
    • NSC-26251
    • UNII-KXI2J76489
    • DTXSID4020743
    • CHEBI:37758
    • AI3-52396
    • KXI2J76489
    • MFCD00001069
    • DTXCID40743
    • NCGC00091389-01
    • IODOFORM (MART.)
    • IODOFORM [MART.]
    • Jodoform [Czech]
    • Iodoform [JAN]
    • IODOFORM (USP MONOGRAPH)
    • IODOFORM [USP MONOGRAPH]
    • Trijodmethane [Czech]
    • tri-iodomethane
    • CAS-75-47-8
    • Iodoform [USP:JAN]
    • Carbontriiodide
    • Iodoform (TN)
    • tris(iodanyl)methane
    • Iodoform, 99%
    • TRIIODO METHANE
    • IODOFORM [HSDB]
    • IODOFORM [MI]
    • WLN: IYII
    • IODOFORMUM [HPUS]
    • Iodoform (JP17/USP)
    • IODOFORM [WHO-DD]
    • Iodoform, SAJ first grade
    • CHEMBL1451116
    • NSC26251
    • Tox21_111124
    • Tox21_202389
    • Tox21_302774
    • AKOS009031506
    • Iodoform, purum, >=99.0% (AT)
    • DB13813
    • Iodoform, puriss., 99.0-100.5%
    • s12111
    • NCGC00091389-02
    • NCGC00091389-03
    • NCGC00256394-01
    • NCGC00259938-01
    • AS-14199
    • NS00006693
    • D01910
    • A838427
    • Q412393
    • Carbon triiodide; Dezinfekt V; Iodoform; NSC 26251
    • 200-874-5

  • Applications

    Iodoform (CAS 75-47-8) is used primarily as an intermediate in organic synthesis and as a precursor to iodine-containing compounds in chemical manufacturing; as an analytical reagent in haloform tests to identify methyl ketones in the laboratory; historically used as an antiseptic component in wound-care products such as gauze; and as a disinfectant/antimicrobial additive in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.13
    methanol 50.24
    isopropanol 75.78
    water 0.72
    ethyl acetate 162.04
    n-propanol 81.65
    acetone 217.49
    n-butanol 97.15
    acetonitrile 72.89
    DMF 253.31
    toluene 243.62
    isobutanol 74.02
    1,4-dioxane 367.58
    methyl acetate 133.24
    THF 756.14
    2-butanone 183.66
    n-pentanol 100.17
    sec-butanol 89.26
    n-hexane 89.16
    ethylene glycol 22.7
    NMP 467.98
    cyclohexane 177.63
    DMSO 308.85
    n-butyl acetate 239.52
    n-octanol 146.1
    chloroform 429.23
    n-propyl acetate 167.14
    acetic acid 101.89
    dichloromethane 338.06
    cyclohexanone 436.6
    propylene glycol 34.38
    isopropyl acetate 161.69
    DMAc 245.06
    2-ethoxyethanol 140.65
    isopentanol 100.66
    n-heptane 137.2
    ethyl formate 105.6
    1,2-dichloroethane 258.96
    n-hexanol 154.85
    2-methoxyethanol 170.49
    isobutyl acetate 150.06
    tetrachloromethane 158.47
    n-pentyl acetate 216.24
    transcutol 467.89
    n-heptanol 128.95
    ethylbenzene 165.14
    MIBK 197.79
    2-propoxyethanol 226.95
    tert-butanol 115.84
    MTBE 166.54
    2-butoxyethanol 184.26
    propionic acid 78.1
    o-xylene 194.89
    formic acid 25.83
    diethyl ether 189.23
    m-xylene 206.21
    p-xylene 194.59
    chlorobenzene 278.91
    dimethyl carbonate 103.0
    n-octane 75.53
    formamide 47.97
    cyclopentanone 532.66
    2-pentanone 219.94
    anisole 260.85
    cyclopentyl methyl ether 423.42
    gamma-butyrolactone 417.5
    1-methoxy-2-propanol 162.56
    pyridine 341.74
    3-pentanone 180.87
    furfural 430.79
    n-dodecane 57.75
    diethylene glycol 139.55
    diisopropyl ether 137.6
    tert-amyl alcohol 114.89
    acetylacetone 300.74
    n-hexadecane 64.17
    acetophenone 266.24
    methyl propionate 140.04
    isopentyl acetate 225.87
    trichloroethylene 448.01
    n-nonanol 143.27
    cyclohexanol 195.46
    benzyl alcohol 168.12
    2-ethylhexanol 158.04
    isooctanol 122.23
    dipropyl ether 248.4
    1,2-dichlorobenzene 275.19
    ethyl lactate 94.58
    propylene carbonate 265.75
    n-methylformamide 88.35
    2-pentanol 100.45
    n-pentane 84.76
    1-propoxy-2-propanol 222.23
    1-methoxy-2-propyl acetate 248.24
    2-(2-methoxypropoxy) propanol 209.25
    mesitylene 174.66
    ε-caprolactone 344.83
    p-cymene 174.5
    epichlorohydrin 439.61
    1,1,1-trichloroethane 309.96
    2-aminoethanol 43.75
    morpholine-4-carbaldehyde 391.59
    sulfolane 559.86
    2,2,4-trimethylpentane 62.38
    2-methyltetrahydrofuran 498.81
    n-hexyl acetate 248.76
    isooctane 60.86
    2-(2-butoxyethoxy)ethanol 259.18
    sec-butyl acetate 153.03
    tert-butyl acetate 235.09
    decalin 106.27
    glycerin 53.48
    diglyme 444.41
    acrylic acid 79.9
    isopropyl myristate 172.96
    n-butyric acid 132.77
    acetyl acetate 149.18
    di(2-ethylhexyl) phthalate 141.69
    ethyl propionate 152.14
    nitromethane 145.58
    1,2-diethoxyethane 278.86
    benzonitrile 205.02
    trioctyl phosphate 116.9
    1-bromopropane 206.92
    gamma-valerolactone 492.75
    n-decanol 122.07
    triethyl phosphate 140.01
    4-methyl-2-pentanol 94.1
    propionitrile 84.4
    vinylene carbonate 219.34
    1,1,2-trichlorotrifluoroethane 280.91
    DMS 184.19
    cumene 133.73
    2-octanol 122.04
    2-hexanone 208.67
    octyl acetate 185.6
    limonene 243.42
    1,2-dimethoxyethane 287.35
    ethyl orthosilicate 144.69
    tributyl phosphate 130.29
    diacetone alcohol 219.3
    N,N-dimethylaniline 227.22
    acrylonitrile 95.89
    aniline 193.81
    1,3-propanediol 67.79
    bromobenzene 316.67
    dibromomethane 297.51
    1,1,2,2-tetrachloroethane 397.09
    2-methyl-cyclohexyl acetate 225.37
    tetrabutyl urea 188.97
    diisobutyl methanol 144.68
    2-phenylethanol 207.96
    styrene 196.29
    dioctyl adipate 209.56
    dimethyl sulfate 173.74
    ethyl butyrate 214.66
    methyl lactate 93.14
    butyl lactate 154.74
    diethyl carbonate 141.83
    propanediol butyl ether 156.01
    triethyl orthoformate 187.91
    p-tert-butyltoluene 179.94
    methyl 4-tert-butylbenzoate 270.79
    morpholine 332.33
    tert-butylamine 105.08
    n-dodecanol 110.51
    dimethoxymethane 234.35
    ethylene carbonate 181.74
    cyrene 262.02
    2-ethoxyethyl acetate 235.97
    2-ethylhexyl acetate 223.36
    1,2,4-trichlorobenzene 321.59
    4-methylpyridine 324.55
    dibutyl ether 212.5
    2,6-dimethyl-4-heptanol 144.68
    DEF 225.01
    dimethyl isosorbide 444.77
    tetrachloroethylene 282.86
    eugenol 236.53
    triacetin 241.88
    span 80 236.84
    1,4-butanediol 44.44
    1,1-dichloroethane 231.94
    2-methyl-1-pentanol 107.42
    methyl formate 87.78
    2-methyl-1-butanol 91.32
    n-decane 80.9
    butyronitrile 113.51
    3,7-dimethyl-1-octanol 153.61
    1-chlorooctane 163.24
    1-chlorotetradecane 100.56
    n-nonane 82.94
    undecane 65.84
    tert-butylcyclohexane 93.85
    cyclooctane 103.73
    cyclopentanol 215.99
    tetrahydropyran 409.63
    tert-amyl methyl ether 177.92
    2,5,8-trioxanonane 356.91
    1-hexene 147.46
    2-isopropoxyethanol 140.15
    2,2,2-trifluoroethanol 58.79
    methyl butyrate 181.97

    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