Butanoic acid, 4-chloro-, methyl ester

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  • Identifiers

    CAS number
    3153-37-5

    Molecular formula
    C5H9ClO2

    SMILES
    COC(=O)CCCCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 85.48%
    Sweet 44.16%
    Winey 39.79%
    Ethereal 37.61%
    Pineapple 37.52%
    Green 34.15%
    Tropical 33.93%
    Grape 33.89%
    Cheesy 31.78%
    Caramellic 31.56%

     

    Flavor
    Fruity 81.2%
    Pineapple 48.29%
    Sweet 43.99%
    Tropical 41.98%
    Floral 32.54%
    Berry 32.42%
    Ripe 31.17%
    Grape 30.98%
    Cheese 30.7%
    Sulfury 26.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.91 (neutral)

    Molecular weight
    136.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    172°C

    Flash point

    • 58.7 ˚C est.

  • Synonyms

    • Methyl 4-chlorobutyrate
    • Methyl 4-chlorobutanoate
    • 3153-37-5
    • Butanoic acid, 4-chloro-, methyl ester
    • gamma-Chlorobutyric acid methyl ester
    • Butyric acid, 4-chloro-, methyl ester
    • Methyl omega-chlorobutyrate
    • EINECS 221-592-9
    • NSC 66271
    • DTXSID7062873
    • Methyl 4chlorobutanoate
    • Methyl omegachlorobutyrate
    • RefChem:571552
    • DTXCID5038381
    • gammaChlorobutyric acid methyl ester
    • Butyric acid, 4chloro, methyl ester
    • Butanoic acid, 4chloro, methyl ester
    • Butyric acid, 4chloro, methyl ester (8CI)
    • Butyric acid, 4-chloro-, methyl ester (8CI)
    • 221-592-9
    • InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H
    • 4-Chlorobutyric acid methyl ester
    • 4-Chlorobutanoic acid methyl ester
    • MFCD00001003
    • methyl-4-chlorobutyrate
    • Methyl .omega.-chlorobutyrate
    • NSC-66271
    • .gamma.-Chlorobutyric acid methyl ester
    • methyl4-chlorobutyrate
    • 4-Chlorobutyric acid methyl ester, Methyl 4-chlorobutanoate,Methyl 4-chlorobutyrate,
    • methyl 4-chloro-butanoate
    • Methyl gamma-chlorobutyrate
    • 4-Chlorbutansauremethylester
    • RKL29JT5L9
    • SCHEMBL83390
    • Methyl .gamma.-chlorobutyrate
    • ClCH2(CH2)2C(O)OCH3
    • SCHEMBL11170976
    • Methyl 4-chlorobutyrate, >=98%
    • BB_SC-07247
    • NSC66271
    • BBL011535
    • STL146654
    • AKOS005287838
    • VS-02970
    • C0823
    • CS-0001466
    • NS00029124
    • EN300-39776
    • GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER
    • F386752
    • Q63396643
    • 3153-37-5

  • Applications

    Butanoic acid, 4-chloro-, methyl ester (CAS 3153-37-5) serves as an organic synthesis intermediate in the development of pharmaceuticals and agrochemicals, providing a precursor for halogenated and other complex organic derivatives. It also functions as a building block for specialty esters and halogenated derivatives used in coatings, inks, and adhesives formulations. Additionally, the compound can act as a reactive intermediate in the synthesis of polymers and plastics for niche applications. Furthermore, it may serve as a processing aid or intermediate in certain industrial formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1579.75
    methanol 2172.94
    isopropanol 1182.54
    water 86.94
    ethyl acetate 893.63
    n-propanol 1020.95
    acetone 2503.64
    n-butanol 850.2
    acetonitrile 2850.18
    DMF 2557.01
    toluene 411.19
    isobutanol 770.9
    1,4-dioxane 1659.96
    methyl acetate 1134.13
    THF 1477.87
    2-butanone 1303.53
    n-pentanol 683.18
    sec-butanol 968.3
    n-hexane 127.11
    ethylene glycol 388.49
    NMP 2115.82
    cyclohexane 191.35
    DMSO 2998.16
    n-butyl acetate 508.11
    n-octanol 269.17
    chloroform 3013.97
    n-propyl acetate 651.47
    acetic acid 3492.75
    dichloromethane 3344.18
    cyclohexanone 1588.11
    propylene glycol 335.17
    isopropyl acetate 476.79
    DMAc 2049.85
    2-ethoxyethanol 1203.62
    isopentanol 689.68
    n-heptane 72.38
    ethyl formate 816.69
    1,2-dichloroethane 1603.01
    n-hexanol 356.92
    2-methoxyethanol 1609.85
    isobutyl acetate 349.8
    tetrachloromethane 629.21
    n-pentyl acetate 386.59
    transcutol 2027.39
    n-heptanol 211.88
    ethylbenzene 271.66
    MIBK 431.8
    2-propoxyethanol 619.3
    tert-butanol 1284.43
    MTBE 839.45
    2-butoxyethanol 429.7
    propionic acid 1114.52
    o-xylene 350.53
    formic acid 1496.9
    diethyl ether 823.79
    m-xylene 274.99
    p-xylene 463.01
    chlorobenzene 727.21
    dimethyl carbonate 274.57
    n-octane 37.49
    formamide 2035.17
    cyclopentanone 1682.12
    2-pentanone 843.77
    anisole 678.49
    cyclopentyl methyl ether 686.22
    gamma-butyrolactone 1715.09
    1-methoxy-2-propanol 931.99
    pyridine 1515.53
    3-pentanone 633.8
    furfural 1891.55
    n-dodecane 28.07
    diethylene glycol 565.64
    diisopropyl ether 202.66
    tert-amyl alcohol 1008.54
    acetylacetone 1037.72
    n-hexadecane 31.38
    acetophenone 726.34
    methyl propionate 650.13
    isopentyl acetate 408.89
    trichloroethylene 3251.99
    n-nonanol 218.17
    cyclohexanol 818.48
    benzyl alcohol 621.77
    2-ethylhexanol 246.83
    isooctanol 191.38
    dipropyl ether 308.75
    1,2-dichlorobenzene 706.42
    ethyl lactate 265.9
    propylene carbonate 818.37
    n-methylformamide 1501.96
    2-pentanol 574.6
    n-pentane 117.74
    1-propoxy-2-propanol 411.7
    1-methoxy-2-propyl acetate 374.81
    2-(2-methoxypropoxy) propanol 429.57
    mesitylene 191.34
    ε-caprolactone 1133.46
    p-cymene 165.23
    epichlorohydrin 1598.37
    1,1,1-trichloroethane 1538.0
    2-aminoethanol 694.43
    morpholine-4-carbaldehyde 1722.02
    sulfolane 1901.75
    2,2,4-trimethylpentane 70.12
    2-methyltetrahydrofuran 1293.14
    n-hexyl acetate 495.3
    isooctane 40.14
    2-(2-butoxyethoxy)ethanol 574.75
    sec-butyl acetate 376.03
    tert-butyl acetate 494.83
    decalin 84.88
    glycerin 478.13
    diglyme 1227.81
    acrylic acid 1145.97
    isopropyl myristate 171.71
    n-butyric acid 1222.74
    acetyl acetate 658.94
    di(2-ethylhexyl) phthalate 184.24
    ethyl propionate 464.01
    nitromethane 4229.75
    1,2-diethoxyethane 656.46
    benzonitrile 1011.65
    trioctyl phosphate 128.43
    1-bromopropane 869.93
    gamma-valerolactone 1816.56
    n-decanol 151.48
    triethyl phosphate 217.87
    4-methyl-2-pentanol 275.92
    propionitrile 1132.07
    vinylene carbonate 833.72
    1,1,2-trichlorotrifluoroethane 1408.52
    DMS 404.3
    cumene 198.91
    2-octanol 183.99
    2-hexanone 692.9
    octyl acetate 222.75
    limonene 249.99
    1,2-dimethoxyethane 1696.48
    ethyl orthosilicate 208.38
    tributyl phosphate 178.92
    diacetone alcohol 573.84
    N,N-dimethylaniline 526.52
    acrylonitrile 1551.15
    aniline 670.63
    1,3-propanediol 912.86
    bromobenzene 745.8
    dibromomethane 1964.99
    1,1,2,2-tetrachloroethane 2153.3
    2-methyl-cyclohexyl acetate 325.92
    tetrabutyl urea 257.94
    diisobutyl methanol 160.83
    2-phenylethanol 369.37
    styrene 411.99
    dioctyl adipate 287.98
    dimethyl sulfate 575.53
    ethyl butyrate 425.34
    methyl lactate 316.89
    butyl lactate 283.46
    diethyl carbonate 307.87
    propanediol butyl ether 434.79
    triethyl orthoformate 285.96
    p-tert-butyltoluene 146.63
    methyl 4-tert-butylbenzoate 427.64
    morpholine 1792.27
    tert-butylamine 814.37
    n-dodecanol 115.74
    dimethoxymethane 896.64
    ethylene carbonate 656.58
    cyrene 477.56
    2-ethoxyethyl acetate 492.24
    2-ethylhexyl acetate 334.54
    1,2,4-trichlorobenzene 827.43
    4-methylpyridine 1551.22
    dibutyl ether 337.76
    2,6-dimethyl-4-heptanol 160.83
    DEF 1159.42
    dimethyl isosorbide 627.54
    tetrachloroethylene 1799.26
    eugenol 429.22
    triacetin 516.59
    span 80 380.57
    1,4-butanediol 471.03
    1,1-dichloroethane 1767.37
    2-methyl-1-pentanol 597.26
    methyl formate 1045.02
    2-methyl-1-butanol 685.87
    n-decane 49.3
    butyronitrile 1163.9
    3,7-dimethyl-1-octanol 252.66
    1-chlorooctane 183.21
    1-chlorotetradecane 69.2
    n-nonane 52.09
    undecane 35.02
    tert-butylcyclohexane 81.84
    cyclooctane 52.22
    cyclopentanol 881.2
    tetrahydropyran 1357.51
    tert-amyl methyl ether 590.36
    2,5,8-trioxanonane 790.38
    1-hexene 394.65
    2-isopropoxyethanol 706.46
    2,2,2-trifluoroethanol 1055.96
    methyl butyrate 771.43

    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