8-Isopropylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6457-30-3

    Molecular formula
    C12H13N

    SMILES
    CC(C)C1=CC=CC2=C1N=CC=C2

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Earthy 71.83%
    Green 69.36%
    Animal 52.78%
    Leathery 51.55%
    Herbal 45.39%
    Nutty 44.76%
    Woody 40.7%
    Leafy 39.24%
    Tobacco 37.27%
    Phenolic 36.52%

     

    Flavor
    Herbal 42.78%
    Woody 40.29%
    Musty 32.29%
    Green 30.68%
    Earthy 29.95%
    Pepper 27.12%
    Wood 25.36%
    Bitter 25.09%
    Spice 24.5%
    Spicy 24.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.11 (weak acid)

    Molecular weight
    171.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 109.98 ˚C est.

  • Synonyms

    • 8-(Isopropyl)quinoline
    • 6457-30-3
    • 8-(propan-2-yl)quinoline
    • 8-isopropylquinoline
    • 8-propan-2-ylquinoline
    • EINECS 229-264-7
    • Quinoline, 8-(1-methylethyl)-
    • 8-(1-Methylethyl)quinoline
    • 1Z67T58XO4
    • UNII-1Z67T58XO4
    • 8-Isopropyl-quinoline
    • SCHEMBL84502
    • DTXSID30983190
    • FAHUZGNYQXPESZ-UHFFFAOYSA-N
    • AKOS006314288
    • NS00046761
    • EN300-249239
    • G40555
    • Z1198238055

  • Applications

    8-Isopropylquinoline (CAS 6457-30-3) is a heteroaromatic compound primarily used as an intermediate in chemical synthesis, with practical applications as a building block for pharmaceutical and agrochemical compounds. It is also recognized as a precursor for dye and pigment chemistry and can serve as a starting material for specialty polymer and rubber additive synthesis. In industrial manufacturing, it may be used as a solvent or co-solvent in certain processes, and is occasionally employed as a ligand or precursor in catalytic cycles. Additionally, it may be considered as an odorant or fragrance note in perfumery, depending on formulation and local regulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 369.07
    methanol 162.32
    isopropanol 310.86
    water 0.25
    ethyl acetate 854.14
    n-propanol 358.25
    acetone 1424.3
    n-butanol 370.41
    acetonitrile 807.2
    DMF 1749.6
    toluene 862.51
    isobutanol 304.51
    1,4-dioxane 1743.54
    methyl acetate 833.39
    THF 2620.25
    2-butanone 1087.4
    n-pentanol 275.05
    sec-butanol 280.66
    n-hexane 229.8
    ethylene glycol 39.12
    NMP 1172.5
    cyclohexane 368.6
    DMSO 1000.63
    n-butyl acetate 1460.09
    n-octanol 351.65
    chloroform 3004.51
    n-propyl acetate 691.27
    acetic acid 307.03
    dichloromethane 4079.21
    cyclohexanone 1989.95
    propylene glycol 47.43
    isopropyl acetate 470.36
    DMAc 786.92
    2-ethoxyethanol 269.99
    isopentanol 307.47
    n-heptane 331.86
    ethyl formate 789.48
    1,2-dichloroethane 2662.85
    n-hexanol 618.92
    2-methoxyethanol 464.58
    isobutyl acetate 465.62
    tetrachloromethane 547.32
    n-pentyl acetate 630.14
    transcutol 712.23
    n-heptanol 316.45
    ethylbenzene 464.88
    MIBK 484.37
    2-propoxyethanol 612.73
    tert-butanol 306.68
    MTBE 468.58
    2-butoxyethanol 359.81
    propionic acid 326.73
    o-xylene 476.74
    formic acid 40.18
    diethyl ether 823.89
    m-xylene 552.09
    p-xylene 620.64
    chlorobenzene 1065.95
    dimethyl carbonate 341.5
    n-octane 150.86
    formamide 120.06
    cyclopentanone 2333.56
    2-pentanone 968.43
    anisole 516.39
    cyclopentyl methyl ether 1171.91
    gamma-butyrolactone 2182.28
    1-methoxy-2-propanol 344.62
    pyridine 1729.66
    3-pentanone 785.98
    furfural 1281.44
    n-dodecane 91.6
    diethylene glycol 218.85
    diisopropyl ether 232.54
    tert-amyl alcohol 270.97
    acetylacetone 869.35
    n-hexadecane 108.21
    acetophenone 486.44
    methyl propionate 720.5
    isopentyl acetate 928.17
    trichloroethylene 3786.79
    n-nonanol 293.67
    cyclohexanol 508.72
    benzyl alcohol 314.73
    2-ethylhexanol 483.12
    isooctanol 244.73
    dipropyl ether 852.99
    1,2-dichlorobenzene 785.68
    ethyl lactate 176.98
    propylene carbonate 1092.0
    n-methylformamide 629.59
    2-pentanol 261.49
    n-pentane 193.13
    1-propoxy-2-propanol 492.94
    1-methoxy-2-propyl acetate 617.12
    2-(2-methoxypropoxy) propanol 238.12
    mesitylene 337.94
    ε-caprolactone 1295.06
    p-cymene 380.3
    epichlorohydrin 2420.9
    1,1,1-trichloroethane 1724.31
    2-aminoethanol 84.53
    morpholine-4-carbaldehyde 1059.86
    sulfolane 1709.08
    2,2,4-trimethylpentane 65.95
    2-methyltetrahydrofuran 1627.5
    n-hexyl acetate 768.29
    isooctane 56.96
    2-(2-butoxyethoxy)ethanol 350.16
    sec-butyl acetate 339.97
    tert-butyl acetate 421.28
    decalin 156.52
    glycerin 55.98
    diglyme 838.56
    acrylic acid 265.53
    isopropyl myristate 276.25
    n-butyric acid 526.97
    acetyl acetate 437.16
    di(2-ethylhexyl) phthalate 188.23
    ethyl propionate 535.92
    nitromethane 860.4
    1,2-diethoxyethane 793.44
    benzonitrile 712.51
    trioctyl phosphate 177.44
    1-bromopropane 1436.92
    gamma-valerolactone 1887.66
    n-decanol 229.8
    triethyl phosphate 231.79
    4-methyl-2-pentanol 148.73
    propionitrile 720.05
    vinylene carbonate 958.91
    1,1,2-trichlorotrifluoroethane 545.97
    DMS 504.71
    cumene 308.33
    2-octanol 259.92
    2-hexanone 695.01
    octyl acetate 365.77
    limonene 533.41
    1,2-dimethoxyethane 1006.43
    ethyl orthosilicate 216.16
    tributyl phosphate 208.89
    diacetone alcohol 336.85
    N,N-dimethylaniline 362.13
    acrylonitrile 871.85
    aniline 501.03
    1,3-propanediol 177.86
    bromobenzene 1348.59
    dibromomethane 2694.01
    1,1,2,2-tetrachloroethane 2281.47
    2-methyl-cyclohexyl acetate 427.32
    tetrabutyl urea 313.73
    diisobutyl methanol 237.62
    2-phenylethanol 429.21
    styrene 528.82
    dioctyl adipate 328.68
    dimethyl sulfate 463.19
    ethyl butyrate 725.71
    methyl lactate 167.75
    butyl lactate 259.73
    diethyl carbonate 418.8
    propanediol butyl ether 220.21
    triethyl orthoformate 374.71
    p-tert-butyltoluene 324.28
    methyl 4-tert-butylbenzoate 373.86
    morpholine 1526.68
    tert-butylamine 232.46
    n-dodecanol 188.5
    dimethoxymethane 996.63
    ethylene carbonate 905.45
    cyrene 260.02
    2-ethoxyethyl acetate 612.9
    2-ethylhexyl acetate 845.31
    1,2,4-trichlorobenzene 797.58
    4-methylpyridine 1495.47
    dibutyl ether 666.85
    2,6-dimethyl-4-heptanol 237.62
    DEF 936.33
    dimethyl isosorbide 592.18
    tetrachloroethylene 1585.17
    eugenol 309.99
    triacetin 385.79
    span 80 247.38
    1,4-butanediol 84.63
    1,1-dichloroethane 1977.61
    2-methyl-1-pentanol 243.41
    methyl formate 668.75
    2-methyl-1-butanol 294.56
    n-decane 157.46
    butyronitrile 850.4
    3,7-dimethyl-1-octanol 264.88
    1-chlorooctane 505.88
    1-chlorotetradecane 184.23
    n-nonane 178.14
    undecane 119.2
    tert-butylcyclohexane 130.62
    cyclooctane 143.25
    cyclopentanol 600.48
    tetrahydropyran 1930.24
    tert-amyl methyl ether 358.09
    2,5,8-trioxanonane 456.82
    1-hexene 591.47
    2-isopropoxyethanol 238.92
    2,2,2-trifluoroethanol 122.17
    methyl butyrate 784.09

    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