N-butyl Chloride

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  • Identifiers

    CAS number
    109-69-3

    Molecular formula
    C4H9Cl

    SMILES
    CCCCCl

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 64.56%
    Musty 42.35%
    Cheesy 42.22%
    Ethereal 41.3%
    Oily 40.71%
    Fermented 39.68%
    Fresh 39.61%
    Fruity 37.24%
    Fatty 36.8%
    Solvent 36.27%

     

    Flavor
    Fishy 51.02%
    Ammoniacal 38.28%
    Meaty 35.27%
    Sulfurous 34.73%
    Onion 30.99%
    Ammonia 30.2%
    Sulfury 28.83%
    Burnt 26.56%
    Gassy 25.28%
    Fatty 24.24%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor Threshold Low: 0.93 [mmHg]. Odor Threshold High: 1.64 [mmHg]. Odor threshold from CHEMINFO
    • Odor low: 3.3352 mg/cu m; Odor high: 6.3293 mg/cu m

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.31 (weak base)

    Molecular weight
    92.57 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -189.6 °F (NTP, 1992)
    • -123.1 °C
    • -123 °C

    Boiling point

    • 173.3 °F at 760 mmHg (NTP, 1992)
    • 78.5 °C @ 760 mm Hg
    • 77-79 °C

    Flash point

    • -3.62 ˚C est.
    • 20 °F (NTP, 1992)
    • 15 °F (-9 °C) (Closed Cup)
    • -12 °C

    Solubility expt.

    • less than 1 mg/mL at 59 °F (NTP, 1992)
    • PRACTICALLY INSOL IN WATER (0.066% @ 12 °C); MISCIBLE WITH ALC, ETHER
    • Solubility in water, g/l at 25 °C: 0.87 (practically insoluble)

  • Synonyms

    • 1-Chlorobutane
    • 109-69-3
    • Butyl chloride
    • N-BUTYL CHLORIDE
    • Butane, 1-chloro-
    • Chlorure de butyle
    • NBC wormer
    • N-Propylcarbinyl chloride
    • Sure Shot
    • chlorobutane
    • n-Chlorobutane
    • NCI-C06155
    • NSC 8419
    • CCRIS 1389
    • 1-CHLORO-BUTANE
    • HSDB 4167
    • UNII-ZP7R667SGD
    • EINECS 203-696-6
    • ZP7R667SGD
    • MFCD00001009
    • BRN 1730909
    • BUTYLCHORIDE
    • DTXSID8020206
    • AI3-15309
    • NSC-8419
    • Butane, chloro-
    • DTXCID00206
    • EC 203-696-6
    • 4-01-00-00246 (Beilstein Handbook Reference)
    • NCGC00091059-01
    • 1-chlorbutane
    • Chlorobutane, 1-
    • Chlorure de butyle [French]
    • CAS-109-69-3
    • Butyl chloride [NF]
    • n-butylchloride
    • n-chlorbutane
    • chloro-n-butane
    • Butane,chloro-
    • 25154-42-1
    • n-butyl-chloride
    • 1-chloranylbutane
    • chloromethylpropane
    • NBC Kaps Wormer
    • n-BuCl
    • CHLOROBUTANES
    • normal butyl chloride
    • n-C4H9Cl
    • Happy Jack Worm Capsules
    • 1-Chlorobutane, HPLC Grade
    • WLN: G4
    • BUTYL CHLORIDE [HSDB]
    • CHEMBL47259
    • N-BUTYL CHLORIDE [MI]
    • 1-Chlorobutane, p.a., 99%
    • NSC8419
    • AHA54076
    • Tox21_111072
    • Tox21_200865
    • 1-Chlorobutane, anhydrous, 99.5%
    • BBL012221
    • STL163562
    • AKOS000118759
    • N-BUTYL CHLORIDE [GREEN BOOK]
    • DB11534
    • FC10987
    • 1-Chlorobutane, ReagentPlus(R), 99%
    • 1-Chlorobutane, for HPLC, >=99.8%
    • NCGC00091059-02
    • NCGC00258419-01
    • 1-Chlorobutane, HPLC grade, >=99.5%
    • 1-Chlorobutane, purum, >=99.0% (GC)
    • NS00007880
    • EN300-19284
    • n-Chlorobutane [UN1127] [Flammable liquid]
    • A802074
    • Q161608
    • InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H
    • F0001-0200
    • 1-Chlorobutane, biotech. grade, for protein sequence analysis, >=99.8%
    • 203-696-6

  • Applications

    N-butyl Chloride (CAS 109-69-3) is a primary alkyl halide used as a key intermediate in organic synthesis and as an alkylation reagent to install the n-butyl group on nucleophiles such as amines, phenols, and carboxylates, producing N-butyl derivatives, butyl ethers, and butyl esters. It is also used as a solvent or reaction medium for lipophilic substrates and as a feedstock for preparing quaternary ammonium salts and butyl-derived ionic liquids for specialty solvent and catalysis applications. In fragrance and flavor chemistry, it serves as a precursor to certain fragrance components. In coatings and inks, it can function as a solvent for resins and waxes. Additionally, it is used as a cleaning and degreasing solvent for metal surfaces in industrial processing and maintenance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 881.5
    methanol 643.81
    isopropanol 757.46
    water 0.42
    ethyl acetate 740.21
    n-propanol 807.65
    acetone 1262.17
    n-butanol 924.3
    acetonitrile 705.02
    DMF 636.42
    toluene 516.55
    isobutanol 660.38
    1,4-dioxane 1238.21
    methyl acetate 569.63
    THF 1970.29
    2-butanone 889.72
    n-pentanol 548.34
    sec-butanol 736.65
    n-hexane 597.96
    ethylene glycol 115.05
    NMP 777.84
    cyclohexane 971.82
    DMSO 1007.06
    n-butyl acetate 1627.89
    n-octanol 464.54
    chloroform 1916.99
    n-propyl acetate 594.38
    acetic acid 1005.45
    dichloromethane 1443.11
    cyclohexanone 1635.74
    propylene glycol 184.78
    isopropyl acetate 432.59
    DMAc 383.44
    2-ethoxyethanol 418.78
    isopentanol 728.18
    n-heptane 958.46
    ethyl formate 440.14
    1,2-dichloroethane 930.55
    n-hexanol 1222.07
    2-methoxyethanol 666.57
    isobutyl acetate 398.28
    tetrachloromethane 647.27
    n-pentyl acetate 633.58
    transcutol 1963.46
    n-heptanol 492.38
    ethylbenzene 294.18
    MIBK 433.97
    2-propoxyethanol 991.27
    tert-butanol 931.74
    MTBE 754.62
    2-butoxyethanol 558.16
    propionic acid 631.96
    o-xylene 318.86
    formic acid 139.63
    diethyl ether 975.07
    m-xylene 318.82
    p-xylene 408.27
    chlorobenzene 717.71
    dimethyl carbonate 136.59
    n-octane 231.23
    formamide 166.3
    cyclopentanone 1482.2
    2-pentanone 833.33
    anisole 371.51
    cyclopentyl methyl ether 1055.48
    gamma-butyrolactone 1231.81
    1-methoxy-2-propanol 528.84
    pyridine 1115.95
    3-pentanone 574.44
    furfural 960.96
    n-dodecane 107.99
    diethylene glycol 448.4
    diisopropyl ether 316.82
    tert-amyl alcohol 735.62
    acetylacetone 655.43
    n-hexadecane 122.27
    acetophenone 374.28
    methyl propionate 440.98
    isopentyl acetate 1133.48
    trichloroethylene 1643.02
    n-nonanol 389.86
    cyclohexanol 1065.77
    benzyl alcohol 325.44
    2-ethylhexanol 966.71
    isooctanol 389.71
    dipropyl ether 1284.12
    1,2-dichlorobenzene 589.0
    ethyl lactate 189.53
    propylene carbonate 721.93
    n-methylformamide 326.45
    2-pentanol 667.58
    n-pentane 493.2
    1-propoxy-2-propanol 1065.4
    1-methoxy-2-propyl acetate 656.31
    2-(2-methoxypropoxy) propanol 469.06
    mesitylene 228.3
    ε-caprolactone 1090.96
    p-cymene 394.3
    epichlorohydrin 1013.31
    1,1,1-trichloroethane 1382.28
    2-aminoethanol 258.41
    morpholine-4-carbaldehyde 692.18
    sulfolane 1281.06
    2,2,4-trimethylpentane 167.52
    2-methyltetrahydrofuran 1663.07
    n-hexyl acetate 756.5
    isooctane 126.6
    2-(2-butoxyethoxy)ethanol 690.63
    sec-butyl acetate 349.23
    tert-butyl acetate 474.23
    decalin 236.38
    glycerin 217.67
    diglyme 1144.0
    acrylic acid 481.55
    isopropyl myristate 327.45
    n-butyric acid 1120.89
    acetyl acetate 421.84
    di(2-ethylhexyl) phthalate 241.62
    ethyl propionate 389.19
    nitromethane 812.97
    1,2-diethoxyethane 1144.98
    benzonitrile 619.44
    trioctyl phosphate 212.35
    1-bromopropane 1004.72
    gamma-valerolactone 1219.6
    n-decanol 283.2
    triethyl phosphate 285.15
    4-methyl-2-pentanol 319.44
    propionitrile 669.64
    vinylene carbonate 590.1
    1,1,2-trichlorotrifluoroethane 750.87
    DMS 328.83
    cumene 197.5
    2-octanol 372.57
    2-hexanone 730.84
    octyl acetate 380.25
    limonene 783.88
    1,2-dimethoxyethane 846.6
    ethyl orthosilicate 314.02
    tributyl phosphate 283.5
    diacetone alcohol 492.84
    N,N-dimethylaniline 252.68
    acrylonitrile 626.33
    aniline 519.5
    1,3-propanediol 435.61
    bromobenzene 735.28
    dibromomethane 1350.25
    1,1,2,2-tetrachloroethane 1348.11
    2-methyl-cyclohexyl acetate 562.76
    tetrabutyl urea 359.49
    diisobutyl methanol 506.11
    2-phenylethanol 510.91
    styrene 375.48
    dioctyl adipate 418.97
    dimethyl sulfate 205.66
    ethyl butyrate 864.99
    methyl lactate 184.38
    butyl lactate 423.02
    diethyl carbonate 452.04
    propanediol butyl ether 457.36
    triethyl orthoformate 590.36
    p-tert-butyltoluene 362.37
    methyl 4-tert-butylbenzoate 370.5
    morpholine 1377.51
    tert-butylamine 762.86
    n-dodecanol 227.63
    dimethoxymethane 413.77
    ethylene carbonate 531.68
    cyrene 311.44
    2-ethoxyethyl acetate 568.99
    2-ethylhexyl acetate 988.54
    1,2,4-trichlorobenzene 611.95
    4-methylpyridine 976.93
    dibutyl ether 939.23
    2,6-dimethyl-4-heptanol 506.11
    DEF 644.92
    dimethyl isosorbide 731.24
    tetrachloroethylene 1107.3
    eugenol 362.61
    triacetin 482.71
    span 80 578.43
    1,4-butanediol 183.29
    1,1-dichloroethane 1161.95
    2-methyl-1-pentanol 484.2
    methyl formate 266.61
    2-methyl-1-butanol 690.37
    n-decane 208.31
    butyronitrile 961.17
    3,7-dimethyl-1-octanol 505.51
    1-chlorooctane 466.64
    1-chlorotetradecane 177.01
    n-nonane 247.73
    undecane 140.31
    tert-butylcyclohexane 207.32
    cyclooctane 289.72
    cyclopentanol 950.89
    tetrahydropyran 1941.53
    tert-amyl methyl ether 574.59
    2,5,8-trioxanonane 756.04
    1-hexene 1008.81
    2-isopropoxyethanol 344.57
    2,2,2-trifluoroethanol 210.31
    methyl butyrate 583.5

    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