Glycerol beta-chlorohydrin

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  • Identifiers

    CAS number
    497-04-1

    Molecular formula
    C3H7ClO2

    SMILES
    C(C(CO)Cl)O

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Odorless 54.87%
    Alcoholic 37.97%
    Sweet 34.7%
    Fishy 32.96%
    Oily 25.5%
    Fruity 23.97%
    Solvent 21.97%
    Ripe 21.62%
    Fermented 21.54%
    Ethereal 20.83%

     

    Flavor
    Odorless 63.93%
    Sweet 36.34%
    Sweet-like 27.26%
    Sulfurous 26.1%
    Very slight 22.62%
    Mild 22.47%
    Soup 20.24%
    Cauliflower 20.11%
    Bouillon 19.13%
    Meat broth 19.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    5.8 (weak acid)

    Molecular weight
    110.54 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 295 °F at 18 mmHg (NTP, 1992)

    Flash point

    • 129.71 ˚C est.

    Solubility expt.

    • Soluble (NTP, 1992)

  • Synonyms

    • 2-CHLORO-1,3-PROPANEDIOL
    • 2-Chloropropane-1,3-diol
    • 497-04-1
    • 1,3-Propanediol, 2-chloro-
    • Glycerol beta-chlorohydrin
    • 2-Chloro-1,3-dihydroxypropane
    • EINECS 207-834-6
    • N6ZZ93MWJ4
    • J6.100J
    • DTXSID7073191
    • GLYCEROL .BETA.-CHLOROHYDRIN
    • RefChem:663452
    • DTXCID4040717
    • GLYCEROL BETA-MONOCHLOROHYDRIN
    • 207-834-6
    • MFCD01698127
    • 2-MCPD
    • 2-Chloro-1,3-propandiol
    • 1,3-Propanediol,2-chloro-
    • 2-monochloropropanediol
    • UNII-N6ZZ93MWJ4
    • 2-chloro-propane-1,3-diol
    • SCHEMBL30295
    • SCHEMBL330339
    • MSK7918
    • AKOS016370712
    • HY-W585827
    • FC181116
    • SY256872
    • DB-260957
    • NS00022240
    • F87997
    • 2-Chloro-1,3-propanediol 100 microg/mL in Acetonitrile
    • 497-04-1

  • Applications

    Chemical name: Glycerol beta-chlorohydrin, CAS 497-04-1. Its practical applications are mainly as an intermediate for synthesizing glycidyl derivatives (glycidyl ethers and glycidyl esters) used in epoxy resins for coatings, adhesives, and electronic materials; serves as a precursor for the production of epoxy resins and glycidyl-function polymers in the plastics and polymer sector; employed in research and development of new epoxy chemistries and resin systems; and may be involved in the synthesis of epoxy-containing compounds in the chemical and additive industries, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.04
    methanol 89.04
    isopropanol 17.32
    water 308.81
    ethyl acetate 2.72
    n-propanol 28.2
    acetone 11.49
    n-butanol 17.73
    acetonitrile 4.67
    DMF 141.01
    toluene 0.32
    isobutanol 14.41
    1,4-dioxane 12.79
    methyl acetate 4.75
    THF 27.9
    2-butanone 7.46
    n-pentanol 9.28
    sec-butanol 14.21
    n-hexane 0.39
    ethylene glycol 87.16
    NMP 136.25
    cyclohexane 1.03
    DMSO 165.19
    n-butyl acetate 4.2
    n-octanol 6.57
    chloroform 2.91
    n-propyl acetate 3.64
    acetic acid 128.15
    dichloromethane 2.92
    cyclohexanone 15.82
    propylene glycol 55.36
    isopropyl acetate 2.23
    DMAc 79.78
    2-ethoxyethanol 35.97
    isopentanol 9.46
    n-heptane 1.37
    ethyl formate 7.36
    1,2-dichloroethane 2.6
    n-hexanol 8.65
    2-methoxyethanol 73.19
    isobutyl acetate 2.55
    tetrachloromethane 1.59
    n-pentyl acetate 4.57
    transcutol 60.72
    n-heptanol 8.34
    ethylbenzene 0.33
    MIBK 3.67
    2-propoxyethanol 25.6
    tert-butanol 17.91
    MTBE 3.23
    2-butoxyethanol 23.96
    propionic acid 37.56
    o-xylene 0.82
    formic acid 235.35
    diethyl ether 2.62
    m-xylene 0.61
    p-xylene 0.63
    chlorobenzene 0.73
    dimethyl carbonate 3.15
    n-octane 0.52
    formamide 177.44
    cyclopentanone 26.63
    2-pentanone 4.75
    anisole 1.92
    cyclopentyl methyl ether 7.4
    gamma-butyrolactone 31.77
    1-methoxy-2-propanol 36.51
    pyridine 4.94
    3-pentanone 4.03
    furfural 36.26
    n-dodecane 0.36
    diethylene glycol 45.04
    diisopropyl ether 1.13
    tert-amyl alcohol 14.9
    acetylacetone 6.56
    n-hexadecane 0.38
    acetophenone 4.15
    methyl propionate 4.79
    isopentyl acetate 3.85
    trichloroethylene 4.51
    n-nonanol 5.86
    cyclohexanol 12.97
    benzyl alcohol 4.85
    2-ethylhexanol 5.01
    isooctanol 6.68
    dipropyl ether 4.35
    1,2-dichlorobenzene 1.23
    ethyl lactate 8.39
    propylene carbonate 13.17
    n-methylformamide 67.35
    2-pentanol 7.3
    n-pentane 0.62
    1-propoxy-2-propanol 19.39
    1-methoxy-2-propyl acetate 6.75
    2-(2-methoxypropoxy) propanol 22.06
    mesitylene 0.76
    ε-caprolactone 16.14
    p-cymene 1.38
    epichlorohydrin 13.4
    1,1,1-trichloroethane 1.59
    2-aminoethanol 92.44
    morpholine-4-carbaldehyde 74.16
    sulfolane 91.47
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 11.93
    n-hexyl acetate 5.77
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 28.09
    sec-butyl acetate 2.03
    tert-butyl acetate 3.79
    decalin 0.4
    glycerin 112.91
    diglyme 43.96
    acrylic acid 51.13
    isopropyl myristate 2.61
    n-butyric acid 24.18
    acetyl acetate 2.53
    di(2-ethylhexyl) phthalate 5.44
    ethyl propionate 2.66
    nitromethane 58.62
    1,2-diethoxyethane 6.0
    benzonitrile 2.7
    trioctyl phosphate 4.93
    1-bromopropane 1.17
    gamma-valerolactone 44.72
    n-decanol 4.11
    triethyl phosphate 4.52
    4-methyl-2-pentanol 3.88
    propionitrile 3.83
    vinylene carbonate 10.55
    1,1,2-trichlorotrifluoroethane 46.93
    DMS 3.89
    cumene 0.57
    2-octanol 4.39
    2-hexanone 4.25
    octyl acetate 3.95
    limonene 2.59
    1,2-dimethoxyethane 23.06
    ethyl orthosilicate 4.29
    tributyl phosphate 4.89
    diacetone alcohol 14.37
    N,N-dimethylaniline 3.26
    acrylonitrile 6.25
    aniline 2.85
    1,3-propanediol 69.27
    bromobenzene 0.41
    dibromomethane 1.91
    1,1,2,2-tetrachloroethane 5.28
    2-methyl-cyclohexyl acetate 5.7
    tetrabutyl urea 8.65
    diisobutyl methanol 3.75
    2-phenylethanol 4.92
    styrene 0.37
    dioctyl adipate 6.32
    dimethyl sulfate 11.74
    ethyl butyrate 4.42
    methyl lactate 14.6
    butyl lactate 11.04
    diethyl carbonate 2.81
    propanediol butyl ether 27.83
    triethyl orthoformate 4.95
    p-tert-butyltoluene 1.61
    methyl 4-tert-butylbenzoate 12.68
    morpholine 27.71
    tert-butylamine 7.45
    n-dodecanol 3.09
    dimethoxymethane 16.52
    ethylene carbonate 7.47
    cyrene 33.67
    2-ethoxyethyl acetate 6.22
    2-ethylhexyl acetate 3.14
    1,2,4-trichlorobenzene 2.0
    4-methylpyridine 3.21
    dibutyl ether 2.9
    2,6-dimethyl-4-heptanol 3.75
    DEF 15.5
    dimethyl isosorbide 30.3
    tetrachloroethylene 5.47
    eugenol 15.23
    triacetin 10.35
    span 80 24.31
    1,4-butanediol 29.62
    1,1-dichloroethane 1.29
    2-methyl-1-pentanol 6.05
    methyl formate 27.01
    2-methyl-1-butanol 11.09
    n-decane 0.55
    butyronitrile 3.49
    3,7-dimethyl-1-octanol 5.22
    1-chlorooctane 1.5
    1-chlorotetradecane 0.74
    n-nonane 0.54
    undecane 0.42
    tert-butylcyclohexane 0.42
    cyclooctane 0.45
    cyclopentanol 25.94
    tetrahydropyran 7.88
    tert-amyl methyl ether 3.67
    2,5,8-trioxanonane 37.72
    1-hexene 0.76
    2-isopropoxyethanol 17.4
    2,2,2-trifluoroethanol 63.78
    methyl butyrate 5.04

    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