2,3-Dichloro-1-propanol

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  • Identifiers

    CAS number
    616-23-9

    Molecular formula
    C3H6Cl2O

    SMILES
    C(C(CCl)Cl)O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 49.31%
    Odorless 45.33%
    Sweet 30.21%
    Cheesy 29.39%
    Ripe 28.32%
    Oily 26.22%
    Alcoholic 24.81%
    Fresh 19.9%
    Cooling 19.16%
    Mint 17.69%

     

    Flavor
    Odorless 44.84%
    Sulfurous 40.42%
    Meaty 26.67%
    Sulfury 26.26%
    Mild 24.11%
    Fishy 23.8%
    Onion 23.38%
    Roasted 23.1%
    Sweet-like 21.35%
    Bloody 20.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.56 (weak acid)

    Molecular weight
    128.98 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 361 to 365 °F at 760 mmHg (NTP, 1992)
    • 183-185 °C

    Flash point

    • 87.31 ˚C est.
    • 196.5 °F (NTP, 1992)

    Solubility expt.

    • 1 to 10 mg/mL at 76.1 °F (NTP, 1992)
    • Soluble in ethanol, ether, acetone

  • Synonyms

    • 2,3-Dichloro-1-propanol
    • 616-23-9
    • 2,3-Dichloropropan-1-ol
    • 1-Propanol, 2,3-dichloro-
    • 2,3-DICHLOROPROPANOL
    • alpha,beta-Dichlorohydrin
    • 1,2-Dichloro-3-propanol
    • 2,3-Dichloropropyl alcohol
    • Glycerol 1,2-dichlorohydrin
    • 2,3-Dichloropropane-1-ol
    • CCRIS 954
    • HSDB 2743
    • Glycerol alpha,beta-dichlorohydrin
    • UNII-88I7UKE7IM
    • EINECS 210-470-0
    • .alpha.,.beta.-Dichlorohydrin
    • BRN 1732060
    • .beta.-Dichlorohydrin
    • DTXSID2024038
    • AI3-61542
    • 2,3-DICHLOROHYDRIN
    • 88I7UKE7IM
    • DTXCID504038
    • ZXCYIJGIGSDJQQ-UHFFFAOYSA-
    • Glycerol-alpha,beta-dichlorohydrin
    • 4-01-00-01442 (Beilstein Handbook Reference)
    • 2,3-DICHLOROPROPANOL [HSDB]
    • .BETA.,.GAMMA.-DICHLOROHYDRIN
    • Glycerol .alpha.,.beta.-dichlorohydrin
    • 2,3-DICHLORO-1-PROPANOL, (RS)-
    • 2,3-DICHLORO-1-PROPANOL, (+/-)-
    • MFCD00040446
    • (RS)-2,3-Dichloro-1-propanol
    • UN2750
    • 1,2Dichloro3propanol
    • 2,3Dichloro1propanol
    • 2,3Dichloropropan1ol
    • alpha,betaDichlorohydrin
    • 1,2-Dichloropropanol-3
    • 1Propanol, 2,3dichloro
    • 2,3Dichloropropyl alcohol
    • Glycerol 1,2dichlorohydrin
    • SCHEMBL19653
    • MLS002415683
    • BETA,GAMMA-DICHLOROHYDRIN
    • CHEMBL1538584
    • Glycerol alpha,betadichlorohydrin
    • HMS3039G10
    • GLYCEROL-2,3-DICHLOROHYDRIN
    • Tox21_200342
    • GEO-01009
    • STL453645
    • AKOS005258351
    • FD21611
    • SB83831
    • NCGC00090834-01
    • NCGC00090834-02
    • NCGC00257896-01
    • (+-)-2,3-DICHLORO-1-PROPANOL
    • CAS-616-23-9
    • LS-12958
    • SMR001370877
    • (.+-.)-2,3-DICHLORO-1-PROPANOL
    • CS-0128320
    • D0403
    • NS00019532
    • 2,3-Dichloro-1-propanol, >=97.0% (GC)
    • D89647
    • EN300-6477325
    • Glycerol-?,?-dichlorohydrin;2,3-Dichloropropanol
    • Q27269940

  • Applications

    2,3-Dichloro-1-propanol is an organic intermediate used in the synthesis of chlorinated compounds and related derivatives for industrial use. Its practical applications include serving as a precursor for epoxy and epoxy-derived products used in plastics and coatings; participating in the synthesis of polymers and plastic additives; acting as a component in coatings and adhesives; and serving as an intermediate for pharmaceutical and agricultural chemicals after functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 193.33
    methanol 312.1
    isopropanol 112.4
    water 142.21
    ethyl acetate 27.93
    n-propanol 134.68
    acetone 127.28
    n-butanol 110.58
    acetonitrile 50.75
    DMF 363.35
    toluene 7.13
    isobutanol 82.42
    1,4-dioxane 91.78
    methyl acetate 42.11
    THF 156.6
    2-butanone 63.78
    n-pentanol 75.22
    sec-butanol 81.85
    n-hexane 3.07
    ethylene glycol 158.52
    NMP 276.29
    cyclohexane 7.64
    DMSO 421.95
    n-butyl acetate 46.71
    n-octanol 39.02
    chloroform 37.79
    n-propyl acetate 42.21
    acetic acid 374.83
    dichloromethane 37.78
    cyclohexanone 118.54
    propylene glycol 106.11
    isopropyl acetate 21.88
    DMAc 238.37
    2-ethoxyethanol 176.22
    isopentanol 79.91
    n-heptane 9.42
    ethyl formate 54.51
    1,2-dichloroethane 29.94
    n-hexanol 62.41
    2-methoxyethanol 255.26
    isobutyl acetate 29.25
    tetrachloromethane 13.81
    n-pentyl acetate 38.94
    transcutol 335.8
    n-heptanol 47.3
    ethylbenzene 6.37
    MIBK 33.57
    2-propoxyethanol 123.93
    tert-butanol 121.33
    MTBE 34.82
    2-butoxyethanol 112.09
    propionic acid 114.96
    o-xylene 11.56
    formic acid 357.71
    diethyl ether 24.74
    m-xylene 9.59
    p-xylene 11.51
    chlorobenzene 13.21
    dimethyl carbonate 19.01
    n-octane 3.15
    formamide 357.97
    cyclopentanone 137.68
    2-pentanone 49.7
    anisole 27.19
    cyclopentyl methyl ether 53.71
    gamma-butyrolactone 129.84
    1-methoxy-2-propanol 137.15
    pyridine 62.72
    3-pentanone 30.93
    furfural 159.72
    n-dodecane 2.45
    diethylene glycol 156.49
    diisopropyl ether 10.67
    tert-amyl alcohol 92.34
    acetylacetone 57.62
    n-hexadecane 2.61
    acetophenone 45.96
    methyl propionate 31.62
    isopentyl acetate 42.17
    trichloroethylene 62.61
    n-nonanol 33.54
    cyclohexanol 81.67
    benzyl alcohol 51.91
    2-ethylhexanol 42.47
    isooctanol 39.55
    dipropyl ether 33.84
    1,2-dichlorobenzene 17.22
    ethyl lactate 41.17
    propylene carbonate 60.75
    n-methylformamide 212.3
    2-pentanol 54.94
    n-pentane 4.36
    1-propoxy-2-propanol 102.6
    1-methoxy-2-propyl acetate 49.0
    2-(2-methoxypropoxy) propanol 101.69
    mesitylene 8.77
    ε-caprolactone 96.27
    p-cymene 14.37
    epichlorohydrin 101.39
    1,1,1-trichloroethane 22.08
    2-aminoethanol 202.11
    morpholine-4-carbaldehyde 235.16
    sulfolane 225.75
    2,2,4-trimethylpentane 3.73
    2-methyltetrahydrofuran 86.55
    n-hexyl acetate 43.16
    isooctane 3.01
    2-(2-butoxyethoxy)ethanol 135.42
    sec-butyl acetate 24.75
    tert-butyl acetate 32.58
    decalin 3.68
    glycerin 190.65
    diglyme 227.41
    acrylic acid 135.89
    isopropyl myristate 19.43
    n-butyric acid 113.04
    acetyl acetate 22.1
    di(2-ethylhexyl) phthalate 31.43
    ethyl propionate 23.92
    nitromethane 250.22
    1,2-diethoxyethane 60.39
    benzonitrile 37.87
    trioctyl phosphate 24.7
    1-bromopropane 12.85
    gamma-valerolactone 188.3
    n-decanol 24.83
    triethyl phosphate 26.65
    4-methyl-2-pentanol 32.16
    propionitrile 32.98
    vinylene carbonate 57.53
    1,1,2-trichlorotrifluoroethane 180.54
    DMS 26.61
    cumene 8.4
    2-octanol 27.95
    2-hexanone 50.49
    octyl acetate 27.71
    limonene 24.69
    1,2-dimethoxyethane 167.94
    ethyl orthosilicate 27.93
    tributyl phosphate 27.39
    diacetone alcohol 82.31
    N,N-dimethylaniline 33.78
    acrylonitrile 53.67
    aniline 34.57
    1,3-propanediol 204.99
    bromobenzene 8.72
    dibromomethane 23.49
    1,1,2,2-tetrachloroethane 57.16
    2-methyl-cyclohexyl acetate 44.14
    tetrabutyl urea 45.33
    diisobutyl methanol 27.89
    2-phenylethanol 46.93
    styrene 7.71
    dioctyl adipate 41.99
    dimethyl sulfate 46.64
    ethyl butyrate 40.36
    methyl lactate 47.97
    butyl lactate 55.78
    diethyl carbonate 24.92
    propanediol butyl ether 114.47
    triethyl orthoformate 37.68
    p-tert-butyltoluene 14.78
    methyl 4-tert-butylbenzoate 65.88
    morpholine 159.15
    tert-butylamine 54.76
    n-dodecanol 19.13
    dimethoxymethane 87.12
    ethylene carbonate 43.75
    cyrene 112.25
    2-ethoxyethyl acetate 49.06
    2-ethylhexyl acetate 34.0
    1,2,4-trichlorobenzene 26.51
    4-methylpyridine 49.98
    dibutyl ether 25.69
    2,6-dimethyl-4-heptanol 27.89
    DEF 93.78
    dimethyl isosorbide 127.94
    tetrachloroethylene 53.8
    eugenol 76.51
    triacetin 62.12
    span 80 93.97
    1,4-butanediol 106.92
    1,1-dichloroethane 17.77
    2-methyl-1-pentanol 61.13
    methyl formate 113.05
    2-methyl-1-butanol 77.46
    n-decane 3.66
    butyronitrile 38.75
    3,7-dimethyl-1-octanol 37.91
    1-chlorooctane 11.63
    1-chlorotetradecane 5.58
    n-nonane 3.52
    undecane 2.88
    tert-butylcyclohexane 3.9
    cyclooctane 3.01
    cyclopentanol 105.9
    tetrahydropyran 67.14
    tert-amyl methyl ether 31.91
    2,5,8-trioxanonane 176.86
    1-hexene 8.85
    2-isopropoxyethanol 111.06
    2,2,2-trifluoroethanol 146.88
    methyl butyrate 46.41

    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