2-Chlorotoluene

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  • Identifiers

    CAS number
    95-49-8

    Molecular formula
    C7H7Cl

    SMILES
    CC1=CC=CC=C1Cl

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 49.71%
    Floral 42.05%
    Woody 40.09%
    Leathery 37.17%
    Animal 36.28%
    Medicinal 34.16%
    Sweet 33.91%
    Musty 33.16%
    Earthy 31.75%
    Herbal 31.48%

     

    Flavor
    Phenolic 47.74%
    Meaty 41.31%
    Sulfurous 38.56%
    Medicinal 38.54%
    Garlic 27.78%
    Egg 27.19%
    Onion 26.66%
    Phenol 26.0%
    Fishy 25.12%
    Smoke 24.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.0 (weak acid)

    Molecular weight
    126.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -31.2 °F (NTP, 1992)
    • -35.59 °C
    • -35.1 °C
    • -31.2 °F
    • -31 °F

    Boiling point

    • 318.15 °F at 760 mmHg (NTP, 1992)
    • 158.97 °C
    • 159.2 °C
    • 318.2 °F
    • 320 °F

    Flash point

    • 47.42 ˚C est.
    • 126 °F (NTP, 1992)
    • 126 °F
    • 43 °C c.c.
    • 96 °F

    Solubility expt.

    • 0.009 % at 77 °F (NIOSH, 2024)
    • FREELY SOL IN CHLOROFORM
    • Miscible with alcohol, acetone, ether, benzene, carbon tetrachloride, and n-heptane; slightly soluble in water.
    • Solubility less than 10% in acetone, benzene, ether, alcohol
    • Solubility in water = 374 mg/l at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.47
    • (77 °F): 0.009%

  • Synonyms

    • 2-Chlorotoluene
    • 1-Chloro-2-methylbenzene
    • 95-49-8
    • o-Chlorotoluene
    • Benzene, 1-chloro-2-methyl-
    • Toluene, o-chloro-
    • o-Tolyl chloride
    • ortho-Chlorotoluene
    • 2-Methylchlorobenzene
    • 2-Chloro-1-methylbenzene
    • Halso 99
    • 1-METHYL-2-CHLOROBENZENE
    • NSC 8766
    • UN2238
    • CCRIS 7785
    • DTXSID8023977
    • HSDB 5291
    • 2-tolyl chloride
    • UNII-2G7D0YDV9H
    • EINECS 202-424-3
    • ortho-tolyl chloride
    • BRN 1904175
    • AI3-15912
    • NSC-8766
    • TOLUENE,2-CHLORO
    • CHLOROTOLUENE, O-
    • O-METHYLCHLOROBENZENE
    • 2G7D0YDV9H
    • O-CHLOROTOLUENE [MI]
    • 1-chloranyl-2-methyl-benzene
    • 2-METHYLPHENYL CHLORIDE
    • DTXCID003977
    • EC 202-424-3
    • 4-05-00-00805 (Beilstein Handbook Reference)
    • UN-2238
    • C7H7Cl
    • CAS-95-49-8
    • 1-chloro-2-methyl-benzene
    • oChlorotoluene
    • o-tolylchloride
    • oTolyl chloride
    • 2Chlorotoluene
    • orthochlorotoluene
    • 2 -chlorotoluene
    • 2Methylchlorobenzene
    • 1Chloro2methylbenzene
    • 1Methyl2chlorobenzene
    • 2Chloro1methylbenzene
    • 2-Chlorotoluene, 99%
    • o-Chlorotoluene (ACGIH)
    • benzene, 1-chloro-2-methyl
    • SCHEMBL12792
    • CHEMBL1797265
    • SCHEMBL10738408
    • NSC8766
    • 2-Chlorotoluene, analytical standard
    • Tox21_201251
    • Tox21_300329
    • Benzene, 1-chloro-2-methyl-(9CI)
    • MFCD00000562
    • STL280355
    • AKOS000120015
    • FC33736
    • NCGC00247992-01
    • NCGC00247992-02
    • NCGC00254384-01
    • NCGC00258803-01
    • AS-12438
    • NS00004805
    • S0659
    • EN300-17390
    • G77195
    • o-Chlorotoluene [UN2238] [Flammable liquid]
    • 2-Chlorotoluene, PESTANAL(R), analytical standard
    • Q17276347
    • F0001-2272
    • C3U

  • Applications

    2-Chlorotoluene (CAS 95-49-8) is primarily used as an industrial intermediate for the synthesis of other aromatic compounds; it serves as a building block in the production of dyes and pigments, agrochemicals, and pharmaceutical intermediates; it is also used as a precursor in the manufacture of specialty polymers and coatings/inks that rely on chlorinated aryl building blocks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 201.81
    methanol 179.06
    isopropanol 135.01
    water 0.7
    ethyl acetate 383.12
    n-propanol 185.38
    acetone 301.13
    n-butanol 194.62
    acetonitrile 237.23
    DMF 281.47
    toluene 261.18
    isobutanol 126.32
    1,4-dioxane 727.61
    methyl acetate 319.67
    THF 687.76
    2-butanone 346.95
    n-pentanol 193.09
    sec-butanol 162.4
    n-hexane 73.33
    ethylene glycol 24.77
    NMP 329.66
    cyclohexane 70.03
    DMSO 262.52
    n-butyl acetate 479.53
    n-octanol 97.6
    chloroform 946.36
    n-propyl acetate 308.21
    acetic acid 185.29
    dichloromethane 895.74
    cyclohexanone 466.63
    propylene glycol 31.67
    isopropyl acetate 234.78
    DMAc 308.01
    2-ethoxyethanol 261.94
    isopentanol 168.77
    n-heptane 77.68
    ethyl formate 218.56
    1,2-dichloroethane 545.49
    n-hexanol 232.25
    2-methoxyethanol 256.99
    isobutyl acetate 206.38
    tetrachloromethane 230.21
    n-pentyl acetate 237.6
    transcutol 1093.59
    n-heptanol 116.35
    ethylbenzene 140.42
    MIBK 213.04
    2-propoxyethanol 335.34
    tert-butanol 192.49
    MTBE 299.62
    2-butoxyethanol 221.58
    propionic acid 154.77
    o-xylene 153.39
    formic acid 60.47
    diethyl ether 434.64
    m-xylene 161.1
    p-xylene 173.83
    chlorobenzene 330.22
    dimethyl carbonate 120.05
    n-octane 26.83
    formamide 117.61
    cyclopentanone 466.4
    2-pentanone 305.96
    anisole 337.56
    cyclopentyl methyl ether 318.62
    gamma-butyrolactone 474.9
    1-methoxy-2-propanol 192.71
    pyridine 496.28
    3-pentanone 250.21
    furfural 473.46
    n-dodecane 17.43
    diethylene glycol 156.37
    diisopropyl ether 144.69
    tert-amyl alcohol 194.76
    acetylacetone 336.46
    n-hexadecane 20.04
    acetophenone 278.42
    methyl propionate 238.44
    isopentyl acetate 363.67
    trichloroethylene 940.82
    n-nonanol 99.65
    cyclohexanol 164.69
    benzyl alcohol 179.75
    2-ethylhexanol 174.66
    isooctanol 107.81
    dipropyl ether 323.8
    1,2-dichlorobenzene 314.6
    ethyl lactate 98.64
    propylene carbonate 294.91
    n-methylformamide 154.98
    2-pentanol 147.95
    n-pentane 57.31
    1-propoxy-2-propanol 270.29
    1-methoxy-2-propyl acetate 364.11
    2-(2-methoxypropoxy) propanol 251.95
    mesitylene 115.59
    ε-caprolactone 408.98
    p-cymene 113.81
    epichlorohydrin 633.2
    1,1,1-trichloroethane 583.47
    2-aminoethanol 66.01
    morpholine-4-carbaldehyde 490.6
    sulfolane 444.81
    2,2,4-trimethylpentane 36.78
    2-methyltetrahydrofuran 496.83
    n-hexyl acetate 257.57
    isooctane 33.95
    2-(2-butoxyethoxy)ethanol 330.57
    sec-butyl acetate 218.51
    tert-butyl acetate 281.87
    decalin 49.27
    glycerin 51.48
    diglyme 682.13
    acrylic acid 127.1
    isopropyl myristate 126.43
    n-butyric acid 258.83
    acetyl acetate 239.15
    di(2-ethylhexyl) phthalate 102.87
    ethyl propionate 242.6
    nitromethane 343.54
    1,2-diethoxyethane 650.66
    benzonitrile 269.32
    trioctyl phosphate 71.87
    1-bromopropane 372.17
    gamma-valerolactone 624.96
    n-decanol 76.97
    triethyl phosphate 150.86
    4-methyl-2-pentanol 101.34
    propionitrile 226.87
    vinylene carbonate 302.59
    1,1,2-trichlorotrifluoroethane 315.84
    DMS 228.98
    cumene 103.57
    2-octanol 84.67
    2-hexanone 322.25
    octyl acetate 142.69
    limonene 159.87
    1,2-dimethoxyethane 537.35
    ethyl orthosilicate 161.62
    tributyl phosphate 108.32
    diacetone alcohol 231.35
    N,N-dimethylaniline 204.42
    acrylonitrile 234.92
    aniline 209.42
    1,3-propanediol 118.22
    bromobenzene 382.99
    dibromomethane 611.49
    1,1,2,2-tetrachloroethane 628.94
    2-methyl-cyclohexyl acetate 230.63
    tetrabutyl urea 124.25
    diisobutyl methanol 119.86
    2-phenylethanol 216.78
    styrene 184.44
    dioctyl adipate 169.01
    dimethyl sulfate 162.0
    ethyl butyrate 334.53
    methyl lactate 84.54
    butyl lactate 134.12
    diethyl carbonate 215.68
    propanediol butyl ether 133.11
    triethyl orthoformate 240.95
    p-tert-butyltoluene 113.34
    methyl 4-tert-butylbenzoate 216.29
    morpholine 604.44
    tert-butylamine 145.05
    n-dodecanol 63.43
    dimethoxymethane 301.44
    ethylene carbonate 245.71
    cyrene 217.91
    2-ethoxyethyl acetate 371.15
    2-ethylhexyl acetate 324.77
    1,2,4-trichlorobenzene 339.93
    4-methylpyridine 465.59
    dibutyl ether 225.81
    2,6-dimethyl-4-heptanol 119.86
    DEF 304.08
    dimethyl isosorbide 505.65
    tetrachloroethylene 470.56
    eugenol 219.05
    triacetin 245.93
    span 80 188.22
    1,4-butanediol 57.9
    1,1-dichloroethane 517.3
    2-methyl-1-pentanol 190.08
    methyl formate 124.95
    2-methyl-1-butanol 162.94
    n-decane 27.9
    butyronitrile 269.42
    3,7-dimethyl-1-octanol 123.4
    1-chlorooctane 103.2
    1-chlorotetradecane 47.75
    n-nonane 27.05
    undecane 21.13
    tert-butylcyclohexane 53.34
    cyclooctane 35.59
    cyclopentanol 151.55
    tetrahydropyran 549.41
    tert-amyl methyl ether 242.09
    2,5,8-trioxanonane 505.35
    1-hexene 194.94
    2-isopropoxyethanol 211.11
    2,2,2-trifluoroethanol 74.25
    methyl butyrate 301.7

    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