5,6,7,8-Tetrahydro-4-methylquinoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    28971-03-1

    Molecular formula
    C10H13N

    SMILES
    CC1=C2CCCCC2=NC=C1

    Safety labels

  • Odor profile

    Fragrance
    Animal 59.8%
    Earthy 55.07%
    Herbal 49.08%
    Tobacco 44.24%
    Green 44.13%
    Sweet 42.78%
    Musty 42.67%
    Leathery 41.34%
    Nutty 39.9%
    Woody 32.2%

     

    Flavor
    Earthy 45.54%
    Roasted 43.48%
    Musty 43.28%
    Nutty 38.37%
    Coffee 33.11%
    Nut 29.44%
    Animal 29.35%
    Roast 28.87%
    Potato 28.23%
    Corn 28.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.29 (neutral)

    Molecular weight
    147.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 96.05 ˚C est.

  • Synonyms

    • 4-methyl-5,6,7,8-tetrahydroquinoline
    • 5,6,7,8-Tetrahydro-4-methylquinoline
    • Quinoline, 5,6,7,8-tetrahydro-4-methyl-
    • DTXSID40951587
    • RefChem:101088
    • DTXCID701021353
    • 28971-03-1
    • Quinoline,5,6,7,8-tetrahydro-4-methyl
    • 5,6,7,8-Tetrahydrolepidine
    • SCHEMBL795349
    • orb1941456
    • MFCD18427846
    • HY-W049311
    • BS-33950
    • DA-18813
    • PD214630
    • CS-0102388
    • G79768
    • 28971-03-1

  • Applications

    5,6,7,8-Tetrahydro-4-methylquinoline (CAS 28971-03-1) is primarily used as a synthetic building block in medicinal chemistry and pharmaceutical manufacturing, serving as an intermediate to access tetrahydroquinoline scaffolds and SAR exploration. In fragrance and perfumery, it may be evaluated as an odorant precursor or component used to craft specialty aromatic profiles. The compound also finds application in cosmetics/personal care formulations through its role as a chemical intermediate for fragrance-related ingredients. In industrial organic synthesis, it supports diversification of heterocyclic chemistries and as a versatile starting point for further functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 370.46
    methanol 493.46
    isopropanol 277.84
    water 1.0
    ethyl acetate 787.4
    n-propanol 374.48
    acetone 836.24
    n-butanol 343.5
    acetonitrile 907.23
    DMF 877.28
    toluene 801.37
    isobutanol 295.78
    1,4-dioxane 1865.36
    methyl acetate 734.05
    THF 1504.42
    2-butanone 735.14
    n-pentanol 283.74
    sec-butanol 261.7
    n-hexane 156.0
    ethylene glycol 60.68
    NMP 1040.9
    cyclohexane 254.34
    DMSO 936.25
    n-butyl acetate 947.88
    n-octanol 231.17
    chloroform 2754.79
    n-propyl acetate 574.3
    acetic acid 367.51
    dichloromethane 2948.32
    cyclohexanone 1320.43
    propylene glycol 63.24
    isopropyl acetate 435.99
    DMAc 516.17
    2-ethoxyethanol 377.83
    isopentanol 322.51
    n-heptane 141.87
    ethyl formate 556.28
    1,2-dichloroethane 1758.01
    n-hexanol 475.45
    2-methoxyethanol 520.49
    isobutyl acetate 400.1
    tetrachloromethane 658.4
    n-pentyl acetate 465.89
    transcutol 1516.04
    n-heptanol 237.07
    ethylbenzene 313.66
    MIBK 403.59
    2-propoxyethanol 625.26
    tert-butanol 337.92
    MTBE 511.58
    2-butoxyethanol 375.13
    propionic acid 357.44
    o-xylene 373.92
    formic acid 106.67
    diethyl ether 878.85
    m-xylene 443.18
    p-xylene 381.35
    chlorobenzene 1098.99
    dimethyl carbonate 303.23
    n-octane 66.15
    formamide 178.22
    cyclopentanone 1353.24
    2-pentanone 630.87
    anisole 509.5
    cyclopentyl methyl ether 889.99
    gamma-butyrolactone 1523.13
    1-methoxy-2-propanol 378.9
    pyridine 1444.08
    3-pentanone 579.01
    furfural 1200.1
    n-dodecane 50.12
    diethylene glycol 347.99
    diisopropyl ether 263.1
    tert-amyl alcohol 278.51
    acetylacetone 678.97
    n-hexadecane 58.84
    acetophenone 438.46
    methyl propionate 572.94
    isopentyl acetate 662.12
    trichloroethylene 2633.76
    n-nonanol 203.7
    cyclohexanol 423.96
    benzyl alcohol 321.69
    2-ethylhexanol 328.41
    isooctanol 212.16
    dipropyl ether 534.46
    1,2-dichlorobenzene 871.13
    ethyl lactate 172.1
    propylene carbonate 771.77
    n-methylformamide 529.35
    2-pentanol 240.78
    n-pentane 128.68
    1-propoxy-2-propanol 455.96
    1-methoxy-2-propyl acetate 539.73
    2-(2-methoxypropoxy) propanol 302.37
    mesitylene 284.64
    ε-caprolactone 1052.39
    p-cymene 222.66
    epichlorohydrin 1750.76
    1,1,1-trichloroethane 1487.85
    2-aminoethanol 124.63
    morpholine-4-carbaldehyde 1031.95
    sulfolane 1501.54
    2,2,4-trimethylpentane 72.68
    2-methyltetrahydrofuran 1227.91
    n-hexyl acetate 568.2
    isooctane 65.78
    2-(2-butoxyethoxy)ethanol 444.41
    sec-butyl acetate 343.52
    tert-butyl acetate 466.56
    decalin 123.55
    glycerin 106.28
    diglyme 942.48
    acrylic acid 316.48
    isopropyl myristate 225.24
    n-butyric acid 520.56
    acetyl acetate 453.25
    di(2-ethylhexyl) phthalate 184.81
    ethyl propionate 446.46
    nitromethane 878.41
    1,2-diethoxyethane 863.86
    benzonitrile 708.15
    trioctyl phosphate 139.2
    1-bromopropane 1029.24
    gamma-valerolactone 1471.73
    n-decanol 159.35
    triethyl phosphate 209.7
    4-methyl-2-pentanol 167.28
    propionitrile 726.11
    vinylene carbonate 792.17
    1,1,2-trichlorotrifluoroethane 646.73
    DMS 435.95
    cumene 217.97
    2-octanol 180.75
    2-hexanone 534.66
    octyl acetate 275.5
    limonene 334.84
    1,2-dimethoxyethane 899.09
    ethyl orthosilicate 213.29
    tributyl phosphate 197.51
    diacetone alcohol 353.56
    N,N-dimethylaniline 317.65
    acrylonitrile 842.73
    aniline 574.73
    1,3-propanediol 223.47
    bromobenzene 1337.88
    dibromomethane 1955.05
    1,1,2,2-tetrachloroethane 1751.58
    2-methyl-cyclohexyl acetate 349.56
    tetrabutyl urea 238.51
    diisobutyl methanol 190.36
    2-phenylethanol 392.76
    styrene 415.24
    dioctyl adipate 261.32
    dimethyl sulfate 415.46
    ethyl butyrate 546.82
    methyl lactate 180.09
    butyl lactate 245.16
    diethyl carbonate 328.71
    propanediol butyl ether 248.49
    triethyl orthoformate 339.44
    p-tert-butyltoluene 204.06
    methyl 4-tert-butylbenzoate 335.23
    morpholine 1347.29
    tert-butylamine 267.14
    n-dodecanol 129.58
    dimethoxymethane 766.87
    ethylene carbonate 746.77
    cyrene 279.71
    2-ethoxyethyl acetate 573.87
    2-ethylhexyl acetate 587.88
    1,2,4-trichlorobenzene 897.5
    4-methylpyridine 1268.0
    dibutyl ether 483.07
    2,6-dimethyl-4-heptanol 190.36
    DEF 728.97
    dimethyl isosorbide 600.37
    tetrachloroethylene 1298.82
    eugenol 321.76
    triacetin 390.13
    span 80 276.54
    1,4-butanediol 111.32
    1,1-dichloroethane 1499.78
    2-methyl-1-pentanol 270.67
    methyl formate 504.22
    2-methyl-1-butanol 305.83
    n-decane 80.45
    butyronitrile 710.94
    3,7-dimethyl-1-octanol 226.65
    1-chlorooctane 293.43
    1-chlorotetradecane 121.09
    n-nonane 84.33
    undecane 61.98
    tert-butylcyclohexane 112.3
    cyclooctane 109.81
    cyclopentanol 435.76
    tetrahydropyran 1410.33
    tert-amyl methyl ether 379.06
    2,5,8-trioxanonane 550.62
    1-hexene 391.35
    2-isopropoxyethanol 296.91
    2,2,2-trifluoroethanol 163.49
    methyl butyrate 600.95

    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