1-Chloro-2-methylpentane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14753-05-0

    Molecular formula
    C6H13Cl

    SMILES
    CCCC(C)CCl

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Citrus 41.03%
    Sweet 40.96%
    Fresh 40.88%
    Oily 35.04%
    Herbal 34.18%
    Fruity 33.93%
    Fatty 33.93%
    Floral 33.78%
    Green 33.22%
    Cheesy 31.88%

     

    Flavor
    Fishy 32.34%
    Ammoniacal 28.27%
    Sulfurous 28.04%
    Meaty 25.34%
    Ammonia 24.83%
    Glue 24.02%
    Bloody 23.7%
    Skunky 22.95%
    Leathery 22.29%
    Yeasty 21.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.82 (neutral)

    Molecular weight
    120.62 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    124°C

    Flash point

    • 23.17 ˚C est.

  • Synonyms

    • 1-Chloro-2-methylpentane
    • 14753-05-0
    • 128399-28-0
    • DTXSID20335907
    • RefChem:431240
    • DTXCID30286996
    • 679-658-1
    • Pentane, 1-chloro-2-methyl-
    • MFCD00053236
    • Pentane, 1-chloro-2-methyl
    • 1-chloro-2-methyl-pentane
    • SCHEMBL1130728
    • SCHEMBL1286260
    • SCHEMBL4941625
    • SCHEMBL8866380
    • SCHEMBL20597465
    • SCHEMBL28502438
    • AKOS009157400
    • BS-20615
    • SY116846
    • EN300-61698
    • D89415
    • 14753-05-0

  • Applications

    1-Chloro-2-methylpentane (CAS 14753-05-0) is a chemical intermediate used primarily in industrial manufacturing, serving as a reactive alkylating agent to prepare branched alkyl derivatives and can be transformed into other functionalized compounds via substitution or elimination for downstream syntheses. It is commonly used as a solvent or processing aid in controlled formulations and as a building block for specialty chemicals used in polymers/plastics, coatings and inks, and adhesives. In pharmaceutical and agrochemical contexts, it is frequently evaluated as a precursor for more complex molecules, within regulatory constraints and formulation limits. Handling is typically conducted under controlled conditions due to its halogenated hydrocarbon nature.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1003.03
    methanol 637.83
    isopropanol 875.89
    water 0.15
    ethyl acetate 842.96
    n-propanol 919.42
    acetone 1157.58
    n-butanol 1127.01
    acetonitrile 564.61
    DMF 464.18
    toluene 606.63
    isobutanol 725.35
    1,4-dioxane 1426.96
    methyl acetate 586.61
    THF 2550.36
    2-butanone 1029.0
    n-pentanol 726.34
    sec-butanol 841.07
    n-hexane 690.91
    ethylene glycol 69.12
    NMP 598.79
    cyclohexane 884.94
    DMSO 666.66
    n-butyl acetate 2382.52
    n-octanol 482.35
    chloroform 1807.07
    n-propyl acetate 760.57
    acetic acid 540.52
    dichloromethane 1335.42
    cyclohexanone 1725.77
    propylene glycol 129.11
    isopropyl acetate 570.4
    DMAc 335.29
    2-ethoxyethanol 497.56
    isopentanol 950.43
    n-heptane 990.85
    ethyl formate 466.42
    1,2-dichloroethane 948.76
    n-hexanol 1698.73
    2-methoxyethanol 692.38
    isobutyl acetate 517.42
    tetrachloromethane 678.33
    n-pentyl acetate 769.25
    transcutol 2030.38
    n-heptanol 585.87
    ethylbenzene 318.95
    MIBK 569.13
    2-propoxyethanol 1309.53
    tert-butanol 1106.06
    MTBE 1194.52
    2-butoxyethanol 659.87
    propionic acid 457.45
    o-xylene 356.99
    formic acid 75.87
    diethyl ether 1451.03
    m-xylene 395.43
    p-xylene 421.36
    chlorobenzene 688.97
    dimethyl carbonate 103.53
    n-octane 217.3
    formamide 91.08
    cyclopentanone 1361.11
    2-pentanone 1049.52
    anisole 414.81
    cyclopentyl methyl ether 1301.54
    gamma-butyrolactone 1032.39
    1-methoxy-2-propanol 551.59
    pyridine 1091.45
    3-pentanone 633.7
    furfural 822.24
    n-dodecane 93.79
    diethylene glycol 468.15
    diisopropyl ether 465.1
    tert-amyl alcohol 890.95
    acetylacetone 653.08
    n-hexadecane 108.7
    acetophenone 358.91
    methyl propionate 420.79
    isopentyl acetate 1587.47
    trichloroethylene 1523.96
    n-nonanol 398.83
    cyclohexanol 1134.66
    benzyl alcohol 326.5
    2-ethylhexanol 1255.44
    isooctanol 482.42
    dipropyl ether 1829.51
    1,2-dichlorobenzene 552.5
    ethyl lactate 177.53
    propylene carbonate 669.29
    n-methylformamide 246.11
    2-pentanol 774.89
    n-pentane 539.78
    1-propoxy-2-propanol 1373.32
    1-methoxy-2-propyl acetate 875.17
    2-(2-methoxypropoxy) propanol 455.31
    mesitylene 273.02
    ε-caprolactone 1157.36
    p-cymene 454.8
    epichlorohydrin 1164.27
    1,1,1-trichloroethane 1319.49
    2-aminoethanol 197.47
    morpholine-4-carbaldehyde 658.92
    sulfolane 975.2
    2,2,4-trimethylpentane 195.28
    2-methyltetrahydrofuran 2195.01
    n-hexyl acetate 799.87
    isooctane 161.98
    2-(2-butoxyethoxy)ethanol 686.73
    sec-butyl acetate 482.01
    tert-butyl acetate 642.25
    decalin 253.36
    glycerin 143.6
    diglyme 1243.39
    acrylic acid 286.34
    isopropyl myristate 330.85
    n-butyric acid 1038.43
    acetyl acetate 384.4
    di(2-ethylhexyl) phthalate 230.74
    ethyl propionate 440.11
    nitromethane 511.07
    1,2-diethoxyethane 1480.82
    benzonitrile 594.64
    trioctyl phosphate 198.18
    1-bromopropane 1194.5
    gamma-valerolactone 1294.94
    n-decanol 280.76
    triethyl phosphate 283.05
    4-methyl-2-pentanol 418.98
    propionitrile 665.95
    vinylene carbonate 507.48
    1,1,2-trichlorotrifluoroethane 664.54
    DMS 303.57
    cumene 217.45
    2-octanol 400.55
    2-hexanone 937.02
    octyl acetate 373.62
    limonene 931.65
    1,2-dimethoxyethane 1082.03
    ethyl orthosilicate 337.89
    tributyl phosphate 261.5
    diacetone alcohol 557.92
    N,N-dimethylaniline 260.15
    acrylonitrile 528.56
    aniline 524.16
    1,3-propanediol 400.06
    bromobenzene 764.87
    dibromomethane 1234.43
    1,1,2,2-tetrachloroethane 1213.53
    2-methyl-cyclohexyl acetate 651.39
    tetrabutyl urea 319.99
    diisobutyl methanol 629.3
    2-phenylethanol 568.92
    styrene 381.63
    dioctyl adipate 382.29
    dimethyl sulfate 142.65
    ethyl butyrate 1132.52
    methyl lactate 139.41
    butyl lactate 404.44
    diethyl carbonate 482.42
    propanediol butyl ether 432.53
    triethyl orthoformate 721.87
    p-tert-butyltoluene 422.41
    methyl 4-tert-butylbenzoate 359.15
    morpholine 1625.62
    tert-butylamine 932.61
    n-dodecanol 215.59
    dimethoxymethane 457.29
    ethylene carbonate 499.9
    cyrene 305.14
    2-ethoxyethyl acetate 678.97
    2-ethylhexyl acetate 1401.3
    1,2,4-trichlorobenzene 581.19
    4-methylpyridine 1118.31
    dibutyl ether 1078.57
    2,6-dimethyl-4-heptanol 629.3
    DEF 679.78
    dimethyl isosorbide 774.51
    tetrachloroethylene 989.64
    eugenol 338.1
    triacetin 449.6
    span 80 534.89
    1,4-butanediol 158.23
    1,1-dichloroethane 1191.69
    2-methyl-1-pentanol 655.06
    methyl formate 194.9
    2-methyl-1-butanol 840.93
    n-decane 188.28
    butyronitrile 1110.78
    3,7-dimethyl-1-octanol 530.29
    1-chlorooctane 473.01
    1-chlorotetradecane 173.33
    n-nonane 224.75
    undecane 124.17
    tert-butylcyclohexane 247.46
    cyclooctane 286.64
    cyclopentanol 933.79
    tetrahydropyran 2538.28
    tert-amyl methyl ether 805.49
    2,5,8-trioxanonane 718.58
    1-hexene 1242.02
    2-isopropoxyethanol 429.49
    2,2,2-trifluoroethanol 118.57
    methyl butyrate 699.81

    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