1,2,3-Trichloropropane

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  • Identifiers

    CAS number
    96-18-4

    Molecular formula
    C3H5Cl3

    SMILES
    C(C(CCl)Cl)Cl

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fishy 49.84%
    Odorless 34.17%
    Cheesy 31.36%
    Ripe 28.93%
    Oily 24.59%
    Fresh 23.56%
    Animal 23.41%
    Waxy 22.39%
    Woody 21.79%
    Sweet 20.6%

     

    Flavor
    Sulfurous 32.99%
    Meaty 27.91%
    Odorless 25.44%
    Sulfury 24.3%
    Fishy 23.35%
    Ammoniacal 23.04%
    Onion 20.28%
    Bloody 19.95%
    Glue 19.7%
    Skunky 19.14%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 100.0 [mmHg]. Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards"

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.45 (weak acid)

    Molecular weight
    147.43 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • 5.5 °F (NTP, 1992)
    • -13.9 °C
    • -14 °C
    • 6 °F

    Boiling point

    • 313 °F at 760 mmHg (NTP, 1992)
    • 158 °C
    • 156 °C
    • 314 °F

    Flash point

    • 57.62 ˚C est.
    • 180 °F (NTP, 1992)
    • 180 °F
    • 74 °C (165 °F) - closed cup
    • 180 °F (82.2 °C) (Open Cup)
    • 160-164 °F (Closed cup)
    • 180 °F (open cup)
    • 71 °C (closed cup)
    • 73 °C c.c.
    • 160 °F

    Solubility expt.

    • 1 to 5 mg/mL at 75 °F (NTP, 1992)
    • In water, 1750 mg/L at 25 °C
    • Slightly soluble in carbon tetrachloride; soluble in ethanol, ethyl ether; very soluble in chloroform
    • Dissolves oils, fats, waxes, chlorinated rubber, and numerous resins.
    • Solubility in water, g/100ml: 0.18 (very poor)
    • 0.1%

  • Synonyms

    • 1,2,3-TRICHLOROPROPANE
    • 96-18-4
    • Trichlorohydrin
    • Allyl trichloride
    • Propane, 1,2,3-trichloro-
    • Glycerol trichlorohydrin
    • Glyceryl trichlorohydrin
    • 1,2,3-Trichloro-propane
    • Trichloropropane, 1,2,3-
    • NSC 35403
    • Glycerin trichlorohydrin
    • CCRIS 5874
    • HSDB 1340
    • NCI-C60220
    • UNII-3MJ7QCK0Z0
    • EINECS 202-486-1
    • 3MJ7QCK0Z0
    • BRN 1732068
    • DTXSID9021390
    • AI3-26040
    • 1,2,3trichloropropane
    • NSC-35403
    • DTXCID401390
    • CHEBI:34036
    • EC 202-486-1
    • NSC35403
    • 1,2,3-TRICHLOROPROPANE [HSDB]
    • 1,2,3-TRICHLOROPROPANE [IARC]
    • 1,2,3-TRICHLOROPROPANE (IARC)
    • CAS-96-18-4
    • Trichlorohydrine
    • Trichlorure d'allyle
    • MFCD00000946
    • 1,3-Trichloropropane
    • 1,2,3-Tricloropropano
    • Propane,2,3-trichloro-
    • WLN: G1YG1G
    • SCHEMBL19623
    • GLYCEROL TRICHLORHYDRIN
    • BIDD:ER0690
    • morpholino(4-pyridyl)methanone
    • Trichlorure d'allyle (French)
    • CHEMBL346933
    • 1,2,3-Trichloropropane, 99%
    • 1,2,3-Tricloropropano (Spanish)
    • PROPANE, 1,2,3-TRICHLORO
    • Tox21_202023
    • Tox21_302963
    • BBL010950
    • STK802057
    • AKOS005622729
    • 55 - VOCs (Fumigants) in Groundwater
    • 1,2,3-Trichloropropane (ACGIH:OSHA)
    • 1,2,3-Trichloropropane, TraceCERT(R)
    • NCGC00090694-01
    • NCGC00090694-02
    • NCGC00090694-03
    • NCGC00256369-01
    • NCGC00259572-01
    • 111 - VOCs (Fumigants) in Groundwater
    • VS-02765
    • 1,2,3-Trichloropropane, analytical standard
    • NS00006830
    • S0655
    • T0395
    • D97722
    • 1,2,3-Trichloropropane 10 microg/mL in Methanol
    • Q161301
    • 1,2,3-Trichloropropane 100 microg/mL in Methanol
    • A13-26040
    • EPA Method 552.3 IS Solution 1,2,3-Trichloropropane, 1000 microg/mL in Methanol
    • 202-486-1

  • Applications

    Chemical name: 1,2,3-Trichloropropane; CAS number: 96-18-4. In industrial manufacturing, 1,2,3-Trichloropropane is primarily used as an intermediate in the synthesis of chlorinated organic compounds and as a solvent or processing aid in various production steps. It also serves as a building block for chlorinated polymers and other specialty chemicals, and may be employed in coatings and inks as a reactive solvent or processing aid, while also functioning as a cleaning solvent in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.72
    methanol 61.21
    isopropanol 58.44
    water 3.4
    ethyl acetate 78.5
    n-propanol 65.96
    acetone 206.18
    n-butanol 68.98
    acetonitrile 99.43
    DMF 235.22
    toluene 99.99
    isobutanol 56.37
    1,4-dioxane 199.78
    methyl acetate 103.92
    THF 305.74
    2-butanone 151.87
    n-pentanol 58.26
    sec-butanol 65.67
    n-hexane 28.19
    ethylene glycol 27.81
    NMP 354.2
    cyclohexane 84.12
    DMSO 270.15
    n-butyl acetate 142.24
    n-octanol 61.51
    chloroform 384.27
    n-propyl acetate 94.76
    acetic acid 151.87
    dichloromethane 294.74
    cyclohexanone 298.23
    propylene glycol 30.23
    isopropyl acetate 61.94
    DMAc 234.17
    2-ethoxyethanol 94.77
    isopentanol 61.97
    n-heptane 68.08
    ethyl formate 71.56
    1,2-dichloroethane 178.41
    n-hexanol 81.84
    2-methoxyethanol 115.83
    isobutyl acetate 74.94
    tetrachloromethane 106.01
    n-pentyl acetate 92.85
    transcutol 352.41
    n-heptanol 57.85
    ethylbenzene 60.06
    MIBK 76.28
    2-propoxyethanol 119.09
    tert-butanol 83.78
    MTBE 85.26
    2-butoxyethanol 94.97
    propionic acid 78.65
    o-xylene 90.16
    formic acid 49.72
    diethyl ether 84.92
    m-xylene 69.42
    p-xylene 96.1
    chlorobenzene 141.86
    dimethyl carbonate 45.25
    n-octane 22.35
    formamide 71.51
    cyclopentanone 305.53
    2-pentanone 115.32
    anisole 106.06
    cyclopentyl methyl ether 168.27
    gamma-butyrolactone 243.23
    1-methoxy-2-propanol 90.46
    pyridine 231.47
    3-pentanone 113.45
    furfural 274.08
    n-dodecane 15.54
    diethylene glycol 93.01
    diisopropyl ether 40.27
    tert-amyl alcohol 77.46
    acetylacetone 141.4
    n-hexadecane 17.59
    acetophenone 140.78
    methyl propionate 76.01
    isopentyl acetate 121.54
    trichloroethylene 391.5
    n-nonanol 58.74
    cyclohexanol 133.02
    benzyl alcohol 93.93
    2-ethylhexanol 88.91
    isooctanol 52.95
    dipropyl ether 132.65
    1,2-dichlorobenzene 143.62
    ethyl lactate 52.66
    propylene carbonate 131.77
    n-methylformamide 85.18
    2-pentanol 58.87
    n-pentane 31.95
    1-propoxy-2-propanol 127.75
    1-methoxy-2-propyl acetate 110.75
    2-(2-methoxypropoxy) propanol 123.06
    mesitylene 51.32
    ε-caprolactone 202.51
    p-cymene 85.52
    epichlorohydrin 229.68
    1,1,1-trichloroethane 213.54
    2-aminoethanol 40.74
    morpholine-4-carbaldehyde 266.62
    sulfolane 332.64
    2,2,4-trimethylpentane 20.51
    2-methyltetrahydrofuran 217.87
    n-hexyl acetate 101.04
    isooctane 13.84
    2-(2-butoxyethoxy)ethanol 139.41
    sec-butyl acetate 69.6
    tert-butyl acetate 81.66
    decalin 32.55
    glycerin 50.42
    diglyme 265.47
    acrylic acid 86.14
    isopropyl myristate 61.46
    n-butyric acid 96.21
    acetyl acetate 69.43
    di(2-ethylhexyl) phthalate 59.07
    ethyl propionate 71.84
    nitromethane 189.13
    1,2-diethoxyethane 163.37
    benzonitrile 134.02
    trioctyl phosphate 45.8
    1-bromopropane 118.77
    gamma-valerolactone 289.46
    n-decanol 47.56
    triethyl phosphate 76.33
    4-methyl-2-pentanol 41.12
    propionitrile 78.7
    vinylene carbonate 127.83
    1,1,2-trichlorotrifluoroethane 218.68
    DMS 81.18
    cumene 50.45
    2-octanol 48.16
    2-hexanone 115.64
    octyl acetate 69.99
    limonene 134.99
    1,2-dimethoxyethane 184.45
    ethyl orthosilicate 78.8
    tributyl phosphate 56.82
    diacetone alcohol 98.62
    N,N-dimethylaniline 105.32
    acrylonitrile 101.73
    aniline 110.68
    1,3-propanediol 54.17
    bromobenzene 139.59
    dibromomethane 232.48
    1,1,2,2-tetrachloroethane 317.65
    2-methyl-cyclohexyl acetate 119.43
    tetrabutyl urea 90.19
    diisobutyl methanol 69.46
    2-phenylethanol 105.51
    styrene 76.44
    dioctyl adipate 96.77
    dimethyl sulfate 85.67
    ethyl butyrate 126.32
    methyl lactate 51.64
    butyl lactate 76.71
    diethyl carbonate 80.26
    propanediol butyl ether 91.89
    triethyl orthoformate 110.1
    p-tert-butyltoluene 80.24
    methyl 4-tert-butylbenzoate 128.48
    morpholine 207.81
    tert-butylamine 63.11
    n-dodecanol 41.9
    dimethoxymethane 108.67
    ethylene carbonate 99.54
    cyrene 137.24
    2-ethoxyethyl acetate 105.55
    2-ethylhexyl acetate 116.1
    1,2,4-trichlorobenzene 187.94
    4-methylpyridine 204.01
    dibutyl ether 102.63
    2,6-dimethyl-4-heptanol 69.46
    DEF 152.35
    dimethyl isosorbide 214.8
    tetrachloroethylene 259.79
    eugenol 118.83
    triacetin 124.84
    span 80 119.3
    1,4-butanediol 35.13
    1,1-dichloroethane 165.63
    2-methyl-1-pentanol 58.14
    methyl formate 74.94
    2-methyl-1-butanol 61.96
    n-decane 25.19
    butyronitrile 81.3
    3,7-dimethyl-1-octanol 70.23
    1-chlorooctane 64.33
    1-chlorotetradecane 32.83
    n-nonane 26.06
    undecane 18.81
    tert-butylcyclohexane 27.78
    cyclooctane 32.43
    cyclopentanol 135.8
    tetrahydropyran 222.02
    tert-amyl methyl ether 85.82
    2,5,8-trioxanonane 216.79
    1-hexene 62.12
    2-isopropoxyethanol 82.62
    2,2,2-trifluoroethanol 72.54
    methyl butyrate 102.63

    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