2,3-Dimethylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1721-89-7

    Molecular formula
    C11H11N

    SMILES
    CC1=CC2=CC=CC=C2N=C1C

    Safety labels

  • Odor profile

    Fragrance
    Animal 57.1%
    Leathery 47.64%
    Tobacco 43.93%
    Earthy 43.53%
    Musty 42.27%
    Burnt 40.21%
    Roasted 39.96%
    Nutty 39.68%
    Sweet 38.48%
    Phenolic 36.34%

     

    Flavor
    Nutty 40.14%
    Musty 35.25%
    Roasted 33.28%
    Coffee 32.89%
    Fecal 31.45%
    Leather 31.35%
    Tobacco 31.15%
    Burnt 30.64%
    Phenolic 29.82%
    Cocoa 28.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    4.85 (weak acid)

    Molecular weight
    157.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 101.99 ˚C est.

  • Synonyms

    • 2,3-DIMETHYLQUINOLINE
    • 1721-89-7
    • Quinoline, 2,3-dimethyl-
    • EINECS 217-016-0
    • DTXSID00169207
    • RefChem:81867
    • DTXCID5091698
    • 217-016-0
    • FBOFHVFMPNNIKN-UHFFFAOYSA-N
    • MFCD03085977
    • SCHEMBL422035
    • SCHEMBL1133362
    • SCHEMBL4755878
    • SCHEMBL30486684
    • BAA72189
    • AKOS005079387
    • SB68504
    • DB-081648
    • CS-0258436
    • NS00010749
    • EN300-701405
    • G71553
    • AO-801/41077381
    • 11T-0826
    • 1721-89-7

  • Applications

    2,3-Dimethylquinoline (CAS 1721-89-7) is primarily used as an organic synthesis intermediate and building block for downstream chemicals. It is commonly evaluated as a precursor in pharmaceutical and agrochemical syntheses; used in the production of dyes and pigments; employed as a specialty building block in polymers and materials development; may serve as a fragrance/odorant precursor in fragrance research; and is explored as a ligand or catalyst precursor for certain organic transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.35
    methanol 93.38
    isopropanol 121.98
    water 0.63
    ethyl acetate 406.32
    n-propanol 151.08
    acetone 424.01
    n-butanol 149.06
    acetonitrile 348.43
    DMF 477.4
    toluene 370.9
    isobutanol 122.89
    1,4-dioxane 751.56
    methyl acetate 401.84
    THF 750.65
    2-butanone 438.18
    n-pentanol 131.83
    sec-butanol 137.05
    n-hexane 126.33
    ethylene glycol 17.63
    NMP 314.66
    cyclohexane 126.58
    DMSO 294.27
    n-butyl acetate 717.08
    n-octanol 171.62
    chloroform 1157.26
    n-propyl acetate 346.28
    acetic acid 112.66
    dichloromethane 1595.83
    cyclohexanone 558.08
    propylene glycol 20.67
    isopropyl acetate 218.49
    DMAc 367.35
    2-ethoxyethanol 142.28
    isopentanol 133.06
    n-heptane 184.33
    ethyl formate 355.76
    1,2-dichloroethane 907.49
    n-hexanol 284.87
    2-methoxyethanol 176.8
    isobutyl acetate 231.65
    tetrachloromethane 265.83
    n-pentyl acetate 309.3
    transcutol 472.33
    n-heptanol 160.44
    ethylbenzene 291.93
    MIBK 195.52
    2-propoxyethanol 274.52
    tert-butanol 152.24
    MTBE 239.94
    2-butoxyethanol 188.77
    propionic acid 130.26
    o-xylene 241.27
    formic acid 20.1
    diethyl ether 422.0
    m-xylene 245.6
    p-xylene 368.38
    chlorobenzene 385.02
    dimethyl carbonate 155.83
    n-octane 82.82
    formamide 63.36
    cyclopentanone 579.95
    2-pentanone 347.27
    anisole 325.85
    cyclopentyl methyl ether 361.79
    gamma-butyrolactone 585.12
    1-methoxy-2-propanol 127.8
    pyridine 626.52
    3-pentanone 343.59
    furfural 441.71
    n-dodecane 51.12
    diethylene glycol 103.66
    diisopropyl ether 127.39
    tert-amyl alcohol 147.28
    acetylacetone 323.43
    n-hexadecane 58.62
    acetophenone 281.98
    methyl propionate 308.73
    isopentyl acetate 459.02
    trichloroethylene 1247.1
    n-nonanol 148.43
    cyclohexanol 148.39
    benzyl alcohol 169.21
    2-ethylhexanol 237.21
    isooctanol 124.24
    dipropyl ether 496.28
    1,2-dichlorobenzene 330.63
    ethyl lactate 93.79
    propylene carbonate 321.15
    n-methylformamide 211.09
    2-pentanol 111.36
    n-pentane 81.96
    1-propoxy-2-propanol 225.84
    1-methoxy-2-propyl acetate 289.47
    2-(2-methoxypropoxy) propanol 168.33
    mesitylene 155.72
    ε-caprolactone 437.4
    p-cymene 206.38
    epichlorohydrin 719.44
    1,1,1-trichloroethane 663.14
    2-aminoethanol 38.33
    morpholine-4-carbaldehyde 414.02
    sulfolane 409.11
    2,2,4-trimethylpentane 38.42
    2-methyltetrahydrofuran 518.16
    n-hexyl acetate 359.48
    isooctane 28.36
    2-(2-butoxyethoxy)ethanol 210.93
    sec-butyl acetate 203.73
    tert-butyl acetate 203.06
    decalin 79.01
    glycerin 27.92
    diglyme 488.19
    acrylic acid 100.43
    isopropyl myristate 152.57
    n-butyric acid 193.99
    acetyl acetate 220.99
    di(2-ethylhexyl) phthalate 114.06
    ethyl propionate 297.06
    nitromethane 304.34
    1,2-diethoxyethane 506.34
    benzonitrile 320.86
    trioctyl phosphate 94.13
    1-bromopropane 555.68
    gamma-valerolactone 540.54
    n-decanol 122.02
    triethyl phosphate 144.22
    4-methyl-2-pentanol 76.11
    propionitrile 336.47
    vinylene carbonate 362.36
    1,1,2-trichlorotrifluoroethane 191.8
    DMS 259.81
    cumene 195.04
    2-octanol 131.46
    2-hexanone 341.87
    octyl acetate 189.86
    limonene 246.7
    1,2-dimethoxyethane 535.47
    ethyl orthosilicate 137.96
    tributyl phosphate 122.38
    diacetone alcohol 146.82
    N,N-dimethylaniline 252.42
    acrylonitrile 348.26
    aniline 208.51
    1,3-propanediol 71.92
    bromobenzene 474.68
    dibromomethane 1025.17
    1,1,2,2-tetrachloroethane 749.61
    2-methyl-cyclohexyl acetate 229.77
    tetrabutyl urea 162.26
    diisobutyl methanol 127.72
    2-phenylethanol 229.75
    styrene 308.26
    dioctyl adipate 189.02
    dimethyl sulfate 177.72
    ethyl butyrate 429.94
    methyl lactate 67.37
    butyl lactate 133.9
    diethyl carbonate 278.68
    propanediol butyl ether 112.6
    triethyl orthoformate 218.11
    p-tert-butyltoluene 171.65
    methyl 4-tert-butylbenzoate 211.99
    morpholine 541.96
    tert-butylamine 126.74
    n-dodecanol 105.53
    dimethoxymethane 367.76
    ethylene carbonate 329.55
    cyrene 139.46
    2-ethoxyethyl acetate 332.97
    2-ethylhexyl acetate 431.21
    1,2,4-trichlorobenzene 319.83
    4-methylpyridine 576.44
    dibutyl ether 374.64
    2,6-dimethyl-4-heptanol 127.72
    DEF 389.21
    dimethyl isosorbide 314.9
    tetrachloroethylene 565.88
    eugenol 187.16
    triacetin 229.99
    span 80 134.76
    1,4-butanediol 38.94
    1,1-dichloroethane 718.39
    2-methyl-1-pentanol 129.12
    methyl formate 218.91
    2-methyl-1-butanol 129.01
    n-decane 87.59
    butyronitrile 344.43
    3,7-dimethyl-1-octanol 140.1
    1-chlorooctane 223.63
    1-chlorotetradecane 92.5
    n-nonane 94.9
    undecane 64.93
    tert-butylcyclohexane 74.14
    cyclooctane 58.98
    cyclopentanol 163.13
    tetrahydropyran 614.96
    tert-amyl methyl ether 201.31
    2,5,8-trioxanonane 292.79
    1-hexene 312.5
    2-isopropoxyethanol 127.8
    2,2,2-trifluoroethanol 57.75
    methyl butyrate 383.05

    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