2-Chloro-1-propanol

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  • Identifiers

    CAS number
    78-89-7

    Molecular formula
    C3H7ClO

    SMILES
    CC(CO)Cl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Alcoholic 45.79%
    Fishy 45.68%
    Fermented 42.06%
    Oily 40.1%
    Cheesy 36.08%
    Solvent 35.18%
    Sweet 34.98%
    Ethereal 33.25%
    Odorless 32.85%
    Ripe 29.86%

     

    Flavor
    Odorless 40.1%
    Sulfurous 38.74%
    Onion 33.55%
    Fishy 29.76%
    Meaty 23.56%
    Roasted 21.5%
    Very slight 20.98%
    Bloody 20.26%
    Sweet-like 19.95%
    Glue 19.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.82 (neutral)

    Molecular weight
    94.54 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • < 25 °C

    Boiling point

    • 271 to 273 °F at 760 mmHg (NTP, 1992)
    • 133-134 °C
    • 133.50 °C. @ 760.00 mm Hg

    Flash point

    • 52.48 ˚C est.
    • 125 °F (NTP, 1992)
    • 51.6 °C
    • 125 °F (52 °C) (CLOSED CUP)

    Solubility expt.

    • Soluble (NTP, 1992)
    • SOL IN WATER, ALCOHOL
    • SOL IN ETHER, ETHANOL

  • Synonyms

    • 2-Chloropropan-1-ol
    • 2-CHLORO-1-PROPANOL
    • 2-Chloropropanol
    • 1-Propanol, 2-chloro-
    • 78-89-7
    • Propylene chlorohydrin
    • 2-Chloropropyl alcohol
    • Propylenechlorohydrin
    • 1-Hydroxy-2-chloropropane
    • beta-Chloropropyl alcohol
    • .beta.-Chloropropyl alcohol
    • CCRIS 875
    • HSDB 5223
    • EINECS 201-154-3
    • NSC 122672
    • 2-chloro-propan-1-ol
    • (R)-(-)-2-Chloro-1-propanol
    • NSC-122672
    • DTXSID5052541
    • W3398732C7
    • PROPYLENE CHLOROHYDRIN [MI]
    • .BETA.-PROPYLENE CHLOROHYDRIN
    • 1-HYDROXY-2-CHLOROPROPANE [HSDB]
    • 2Chloropropanol
    • Propylenchlorhydrin
    • 1-Propanol, 2-chloro-, (S)-
    • UNII-W3398732C7
    • 1Propanol, 2chloro
    • 2Chloropropyl alcohol
    • 1Hydroxy2chloropropane
    • betaChloropropyl alcohol
    • (r)-2-chloro-1-propanol
    • WLN: Q1YG1
    • DTXCID2031114
    • 2-CHLOROISOPROPYL ALCOHOL
    • BETA-PROPYLENE CHLOROHYDRIN
    • (S)-(-)-2-Chloro-1-propanol
    • NSC122672
    • AKOS006228269
    • SB44668
    • SB44669
    • UN 2611
    • FC146292
    • SY240135
    • NS00021358
    • Propylene chlorohydrin [UN2611] [Poison]
    • EN300-91182
    • G28183
    • Q15461615
    • Propylenechlorohydrin; 1-Hydroxy-2-chloropropane; 2-Chloropropylalcohol
    • 201-154-3

  • Applications

    2-Chloro-1-propanol (CAS 78-89-7) is primarily used as an intermediate in organic synthesis, providing a chlorohydrin functionality for downstream transformations. It can be converted to epoxides and related epoxy derivatives, serving as a building block for plastics and coatings, as well as epoxy applications; it also serves as a precursor for beta-amino alcohols and other chlorohydrin derivatives for specialty chemicals. In addition, it is a known starting point for intermediates used in pharmaceutical and agrochemical synthesis, together with other specialty applications in plastic additives and surfactants for custom formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 222.99
    methanol 363.67
    isopropanol 114.11
    water 388.71
    ethyl acetate 27.29
    n-propanol 149.7
    acetone 66.08
    n-butanol 127.4
    acetonitrile 48.84
    DMF 185.96
    toluene 5.72
    isobutanol 91.89
    1,4-dioxane 64.92
    methyl acetate 40.74
    THF 106.11
    2-butanone 50.21
    n-pentanol 73.27
    sec-butanol 98.29
    n-hexane 3.4
    ethylene glycol 187.07
    NMP 167.85
    cyclohexane 4.43
    DMSO 157.93
    n-butyl acetate 37.21
    n-octanol 42.31
    chloroform 48.05
    n-propyl acetate 30.56
    acetic acid 419.84
    dichloromethane 34.99
    cyclohexanone 71.45
    propylene glycol 165.88
    isopropyl acetate 18.46
    DMAc 149.92
    2-ethoxyethanol 149.43
    isopentanol 85.38
    n-heptane 6.99
    ethyl formate 56.44
    1,2-dichloroethane 20.11
    n-hexanol 72.44
    2-methoxyethanol 259.06
    isobutyl acetate 21.4
    tetrachloromethane 17.83
    n-pentyl acetate 34.49
    transcutol 249.32
    n-heptanol 55.84
    ethylbenzene 4.62
    MIBK 23.49
    2-propoxyethanol 129.44
    tert-butanol 108.61
    MTBE 29.43
    2-butoxyethanol 119.24
    propionic acid 147.45
    o-xylene 8.28
    formic acid 442.93
    diethyl ether 21.07
    m-xylene 7.02
    p-xylene 8.33
    chlorobenzene 11.0
    dimethyl carbonate 16.23
    n-octane 2.8
    formamide 337.55
    cyclopentanone 96.39
    2-pentanone 34.81
    anisole 20.06
    cyclopentyl methyl ether 38.52
    gamma-butyrolactone 104.4
    1-methoxy-2-propanol 136.96
    pyridine 43.66
    3-pentanone 23.95
    furfural 128.18
    n-dodecane 2.03
    diethylene glycol 157.06
    diisopropyl ether 7.8
    tert-amyl alcohol 100.28
    acetylacetone 36.61
    n-hexadecane 2.04
    acetophenone 28.92
    methyl propionate 29.23
    isopentyl acetate 32.11
    trichloroethylene 47.95
    n-nonanol 34.95
    cyclohexanol 69.89
    benzyl alcohol 40.32
    2-ethylhexanol 42.1
    isooctanol 43.16
    dipropyl ether 23.31
    1,2-dichlorobenzene 13.06
    ethyl lactate 36.07
    propylene carbonate 60.55
    n-methylformamide 163.94
    2-pentanol 59.75
    n-pentane 4.62
    1-propoxy-2-propanol 95.59
    1-methoxy-2-propyl acetate 38.67
    2-(2-methoxypropoxy) propanol 80.25
    mesitylene 5.78
    ε-caprolactone 72.51
    p-cymene 9.94
    epichlorohydrin 71.4
    1,1,1-trichloroethane 19.74
    2-aminoethanol 256.55
    morpholine-4-carbaldehyde 159.62
    sulfolane 132.77
    2,2,4-trimethylpentane 4.18
    2-methyltetrahydrofuran 66.97
    n-hexyl acetate 39.6
    isooctane 2.71
    2-(2-butoxyethoxy)ethanol 112.91
    sec-butyl acetate 17.56
    tert-butyl acetate 24.42
    decalin 2.81
    glycerin 254.84
    diglyme 171.49
    acrylic acid 164.16
    isopropyl myristate 14.26
    n-butyric acid 140.69
    acetyl acetate 22.51
    di(2-ethylhexyl) phthalate 25.24
    ethyl propionate 19.07
    nitromethane 208.08
    1,2-diethoxyethane 40.91
    benzonitrile 26.91
    trioctyl phosphate 19.33
    1-bromopropane 11.31
    gamma-valerolactone 133.53
    n-decanol 23.81
    triethyl phosphate 20.97
    4-methyl-2-pentanol 31.44
    propionitrile 35.06
    vinylene carbonate 53.39
    1,1,2-trichlorotrifluoroethane 162.18
    DMS 21.19
    cumene 5.95
    2-octanol 31.71
    2-hexanone 32.86
    octyl acetate 21.75
    limonene 16.01
    1,2-dimethoxyethane 108.69
    ethyl orthosilicate 22.08
    tributyl phosphate 20.33
    diacetone alcohol 68.49
    N,N-dimethylaniline 20.97
    acrylonitrile 50.15
    aniline 30.26
    1,3-propanediol 253.17
    bromobenzene 6.99
    dibromomethane 21.28
    1,1,2,2-tetrachloroethane 43.24
    2-methyl-cyclohexyl acetate 33.22
    tetrabutyl urea 28.96
    diisobutyl methanol 22.13
    2-phenylethanol 39.04
    styrene 5.49
    dioctyl adipate 29.02
    dimethyl sulfate 31.37
    ethyl butyrate 30.52
    methyl lactate 49.41
    butyl lactate 49.56
    diethyl carbonate 19.48
    propanediol butyl ether 117.88
    triethyl orthoformate 27.58
    p-tert-butyltoluene 10.24
    methyl 4-tert-butylbenzoate 48.22
    morpholine 111.82
    tert-butylamine 49.76
    n-dodecanol 17.09
    dimethoxymethane 55.17
    ethylene carbonate 40.13
    cyrene 80.17
    2-ethoxyethyl acetate 41.47
    2-ethylhexyl acetate 25.92
    1,2,4-trichlorobenzene 19.47
    4-methylpyridine 34.41
    dibutyl ether 19.88
    2,6-dimethyl-4-heptanol 22.13
    DEF 60.51
    dimethyl isosorbide 93.65
    tetrachloroethylene 44.01
    eugenol 60.2
    triacetin 48.76
    span 80 81.65
    1,4-butanediol 115.82
    1,1-dichloroethane 16.81
    2-methyl-1-pentanol 61.63
    methyl formate 94.12
    2-methyl-1-butanol 93.44
    n-decane 3.21
    butyronitrile 39.89
    3,7-dimethyl-1-octanol 34.93
    1-chlorooctane 10.1
    1-chlorotetradecane 4.22
    n-nonane 3.2
    undecane 2.43
    tert-butylcyclohexane 3.54
    cyclooctane 2.16
    cyclopentanol 94.71
    tetrahydropyran 44.63
    tert-amyl methyl ether 27.76
    2,5,8-trioxanonane 121.37
    1-hexene 9.42
    2-isopropoxyethanol 94.52
    2,2,2-trifluoroethanol 191.2
    methyl butyrate 34.71

    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