Ethyl 2-chloropropionate

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  • Identifiers

    CAS number
    535-13-7

    Molecular formula
    C5H9ClO2

    SMILES
    CCOC(=O)C(C)Cl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 94.25%
    Sweet 51.48%
    Tropical 48.2%
    Pineapple 44.27%
    Green 41.62%
    Winey 41.0%
    Apple 40.73%
    Caramellic 39.93%
    Buttery 37.72%
    Ethereal 37.0%

     

    Flavor
    Fruity 79.5%
    Berry 30.78%
    Grape 30.62%
    Tropical 28.99%
    Sweet 26.34%
    Pineapple 25.05%
    Cheese 23.65%
    Creamy 23.64%
    Odorless 22.42%
    Strawberry 21.71%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.36 (neutral)

    Molecular weight
    136.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    145°C

    Flash point

    • 34.49 ˚C est.

  • Synonyms

    • Ethyl 2-chloropropionate
    • 535-13-7
    • Ethyl 2-chloropropanoate
    • 2-Chloropropionic Acid Ethyl Ester
    • Propanoic acid, 2-chloro-, ethyl ester
    • Ethyl-2-chloropropionate
    • ETHYL ALPHA-CHLOROPROPIONATE
    • Ethyl .alpha.-chloropropionate
    • UNII-LXW30UR82C
    • 2-Chloropropionic acid, ethyl ester
    • ethyl chloropropionate
    • EINECS 208-610-0
    • NSC 522671
    • NSC-522671
    • LXW30UR82C
    • Propionic acid, 2-chloro-, ethyl ester
    • AI3-39182
    • DTXSID70870595
    • EC 208-610-0
    • UN 2935
    • ETHYL .ALPHA.-CHLOROPROPIONATE [MI]
    • ETHYL .ALPHA.-CHLOROPROPIONATE, (+/-)-
    • UN2935
    • SCHEMBL5603
    • ethyl (2RS)-2chloropropionate
    • ETHYL ?-CHLOROPROPIONATE
    • Ethyl 2-chloropropionate, 97%
    • ethyl (2RS)-2-chloropropionate
    • DTXCID40818303
    • 2-Chloropropionic acid-ethyl ester
    • 2-chloro-propionic acid ethyl ester
    • MFCD00000864
    • NSC522671
    • AKOS009156784
    • FE29740
    • alpha -chloropropionic acid, ethyl ester
    • LS-13056
    • DB-020959
    • DB-055885
    • DB-070300
    • NS00001473
    • [R,(+)]-2-Chloropropionic acid ethyl ester
    • EN300-56286
    • ETHYL ALPHA-CHLOROPROPIONATE, (+/-)-
    • D89296
    • (2RS)-2-CHLOROPROPIONIC ACID ETHYL ESTER
    • Q27283245
    • Ethyl 2-chloropropionate [UN2935] [Flammable liquid]

  • Applications

    Ethyl 2-chloropropionate (CAS 535-13-7) is primarily used as an organic synthesis intermediate and alkylating reagent. In industry, it serves as a building block to introduce the isopropyl ester moiety and to enable subsequent transformations. Typical applications include: (1) pharmaceutical and pharmaceutical-intermediate synthesis, (2) development of agrochemicals as a precursor in synthetic routes, (3) polymers and coatings where it provides ester functionality or participates in grafting/crosslinking chemistries, (4) fragrance and flavor chemistry as a building block for aroma compounds, and (5) specialty organic synthesis as a general reagent for preparing esters and for bond-forming steps. It should be handled under appropriate safety constraints and may be used in regulated processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 916.34
    methanol 1531.58
    isopropanol 698.7
    water 46.51
    ethyl acetate 1096.2
    n-propanol 680.94
    acetone 2124.1
    n-butanol 593.24
    acetonitrile 2272.91
    DMF 2594.45
    toluene 448.22
    isobutanol 561.95
    1,4-dioxane 1472.45
    methyl acetate 1234.47
    THF 1255.35
    2-butanone 1354.82
    n-pentanol 574.85
    sec-butanol 701.94
    n-hexane 171.07
    ethylene glycol 388.04
    NMP 2131.09
    cyclohexane 189.93
    DMSO 2413.77
    n-butyl acetate 693.82
    n-octanol 377.33
    chloroform 2774.44
    n-propyl acetate 825.81
    acetic acid 1768.75
    dichloromethane 3071.79
    cyclohexanone 1626.19
    propylene glycol 333.99
    isopropyl acetate 616.83
    DMAc 2143.64
    2-ethoxyethanol 1064.0
    isopentanol 537.54
    n-heptane 95.49
    ethyl formate 985.58
    1,2-dichloroethane 1812.32
    n-hexanol 428.47
    2-methoxyethanol 1436.94
    isobutyl acetate 447.92
    tetrachloromethane 549.91
    n-pentyl acetate 547.87
    transcutol 1750.01
    n-heptanol 266.19
    ethylbenzene 378.52
    MIBK 541.32
    2-propoxyethanol 804.58
    tert-butanol 817.3
    MTBE 794.3
    2-butoxyethanol 531.79
    propionic acid 830.43
    o-xylene 458.4
    formic acid 860.57
    diethyl ether 804.49
    m-xylene 370.52
    p-xylene 615.19
    chlorobenzene 905.74
    dimethyl carbonate 446.63
    n-octane 59.64
    formamide 1060.07
    cyclopentanone 1736.88
    2-pentanone 1002.77
    anisole 772.66
    cyclopentyl methyl ether 731.75
    gamma-butyrolactone 1770.98
    1-methoxy-2-propanol 896.61
    pyridine 1299.05
    3-pentanone 905.14
    furfural 1978.98
    n-dodecane 53.52
    diethylene glycol 735.98
    diisopropyl ether 283.2
    tert-amyl alcohol 770.42
    acetylacetone 1335.62
    n-hexadecane 60.72
    acetophenone 880.4
    methyl propionate 854.68
    isopentyl acetate 558.97
    trichloroethylene 3506.96
    n-nonanol 296.6
    cyclohexanol 693.24
    benzyl alcohol 675.73
    2-ethylhexanol 306.58
    isooctanol 237.48
    dipropyl ether 381.2
    1,2-dichlorobenzene 988.63
    ethyl lactate 384.54
    propylene carbonate 1012.48
    n-methylformamide 1392.41
    2-pentanol 483.52
    n-pentane 142.84
    1-propoxy-2-propanol 511.6
    1-methoxy-2-propyl acetate 535.69
    2-(2-methoxypropoxy) propanol 483.84
    mesitylene 278.93
    ε-caprolactone 1306.28
    p-cymene 236.4
    epichlorohydrin 1744.46
    1,1,1-trichloroethane 1577.03
    2-aminoethanol 507.51
    morpholine-4-carbaldehyde 1898.5
    sulfolane 2203.58
    2,2,4-trimethylpentane 108.31
    2-methyltetrahydrofuran 1131.28
    n-hexyl acetate 754.29
    isooctane 63.75
    2-(2-butoxyethoxy)ethanol 626.84
    sec-butyl acetate 495.53
    tert-butyl acetate 628.96
    decalin 127.77
    glycerin 492.94
    diglyme 1363.23
    acrylic acid 931.89
    isopropyl myristate 265.76
    n-butyric acid 907.35
    acetyl acetate 811.27
    di(2-ethylhexyl) phthalate 253.21
    ethyl propionate 690.99
    nitromethane 3266.13
    1,2-diethoxyethane 775.06
    benzonitrile 1141.64
    trioctyl phosphate 198.71
    1-bromopropane 888.4
    gamma-valerolactone 1969.79
    n-decanol 215.98
    triethyl phosphate 296.52
    4-methyl-2-pentanol 274.76
    propionitrile 1128.5
    vinylene carbonate 1114.24
    1,1,2-trichlorotrifluoroethane 1471.97
    DMS 646.38
    cumene 286.98
    2-octanol 263.89
    2-hexanone 824.35
    octyl acetate 342.21
    limonene 326.3
    1,2-dimethoxyethane 1717.64
    ethyl orthosilicate 274.02
    tributyl phosphate 270.44
    diacetone alcohol 661.91
    N,N-dimethylaniline 640.72
    acrylonitrile 1565.31
    aniline 591.8
    1,3-propanediol 667.49
    bromobenzene 971.97
    dibromomethane 1858.68
    1,1,2,2-tetrachloroethane 2497.04
    2-methyl-cyclohexyl acetate 405.9
    tetrabutyl urea 349.83
    diisobutyl methanol 204.82
    2-phenylethanol 488.09
    styrene 494.01
    dioctyl adipate 400.34
    dimethyl sulfate 891.13
    ethyl butyrate 535.26
    methyl lactate 457.36
    butyl lactate 405.73
    diethyl carbonate 388.57
    propanediol butyl ether 534.78
    triethyl orthoformate 361.73
    p-tert-butyltoluene 228.62
    methyl 4-tert-butylbenzoate 555.93
    morpholine 1432.23
    tert-butylamine 558.18
    n-dodecanol 168.13
    dimethoxymethane 1079.06
    ethylene carbonate 902.28
    cyrene 543.59
    2-ethoxyethyl acetate 668.36
    2-ethylhexyl acetate 475.13
    1,2,4-trichlorobenzene 1103.35
    4-methylpyridine 1563.39
    dibutyl ether 432.75
    2,6-dimethyl-4-heptanol 204.82
    DEF 1403.51
    dimethyl isosorbide 727.25
    tetrachloroethylene 1837.14
    eugenol 560.85
    triacetin 704.79
    span 80 404.95
    1,4-butanediol 426.57
    1,1-dichloroethane 1645.71
    2-methyl-1-pentanol 540.28
    methyl formate 1232.98
    2-methyl-1-butanol 559.7
    n-decane 85.48
    butyronitrile 1084.21
    3,7-dimethyl-1-octanol 315.94
    1-chlorooctane 297.8
    1-chlorotetradecane 124.19
    n-nonane 89.09
    undecane 65.12
    tert-butylcyclohexane 134.15
    cyclooctane 76.79
    cyclopentanol 687.54
    tetrahydropyran 1072.96
    tert-amyl methyl ether 682.15
    2,5,8-trioxanonane 847.37
    1-hexene 452.54
    2-isopropoxyethanol 685.55
    2,2,2-trifluoroethanol 720.63
    methyl butyrate 989.64

    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