1,2,3,4-Tetrahydroquinaldine

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  • Identifiers

    CAS number
    1780-19-4

    Molecular formula
    C10H13N

    SMILES
    CC1CCC2=CC=CC=C2N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Animal 49.52%
    Roasted 49.03%
    Nutty 45.08%
    Burnt 39.94%
    Fishy 37.56%
    Musty 36.71%
    Earthy 35.38%
    Meaty 34.06%
    Phenolic 32.37%
    Sweet 32.31%

     

    Flavor
    Sweet 50.23%
    Floral 39.17%
    Animal 34.94%
    Bitter 32.16%
    Fruity 31.23%
    Earthy 27.01%
    Musty 25.25%
    Alkaline 23.63%
    Woody 23.2%
    Herbal 22.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.92 (weak acid)

    Molecular weight
    147.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 101.96 ˚C est.

  • Synonyms

    • 1,2,3,4-Tetrahydroquinaldine
    • 1780-19-4
    • 2-Methyl-1,2,3,4-tetrahydroquinoline
    • Quinoline, 1,2,3,4-tetrahydro-2-methyl-
    • 1,2,3,4-Tetrahydro-2-methylquinoline
    • 25448-05-9
    • AI3-15932
    • Quinaldine, 1,2,3,4-tetrahydro-
    • tetrahydroquinaldine
    • 1,2,3,4-Tetahydro-2-methylquinoline
    • Quinoline, tetrahydro-2-methyl-
    • MFCD00023886
    • XHV42AW48X
    • NSC-65607
    • 2-methyl-1,2,3,4-tetrahydro-quinoline
    • (R)-1,2,3,4-Tetrahydro-2-methylquinoline
    • 1,2,3,4-Tetra-quinaldine
    • Tetrahydro-2-methylquinoline
    • Tetrahydrochinaldin
    • EINECS 217-226-2
    • EINECS 246-996-2
    • EINECS 277-887-8
    • NSC 65607
    • (1)-1,2,3,4-Tetrahydro-2-methylquinoline
    • 2-methyltetrahydroquinoline
    • UNII-XHV42AW48X
    • 1,3,4-Tetrahydroquinaldine
    • NCIOpen2_000109
    • SCHEMBL424121
    • CHEMBL589607
    • Quinaldine,2,3,4-tetrahydro-
    • SCHEMBL8771344
    • 1,2,3,4-Tetrahydro quinaldine
    • DTXSID50397311
    • HMS1577N05
    • ALBB-025689
    • NSC65607
    • 1,3,4-Tetahydro-2-methylquinoline
    • 1,3,4-Tetrahydro-2-methylquinoline
    • 2-Methyl-1,3,4-tetrahydroquinoline
    • AC1627
    • STK086402
    • AKOS000267397
    • AKOS016039021
    • CS-W019554
    • FT41594
    • Quinoline,2,3,4-tetrahydro-2-methyl-
    • 74497-74-8
    • AC-19074
    • DS-12521
    • SY045570
    • NS00047103
    • T0112
    • EN300-59145
    • 2-(r,s)-methyl-1,2,3,4-tetrahydro-quinoline
    • InChI=1/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H
    • 1334-81-2

  • Applications

    1,2,3,4-Tetrahydroquinaldine (CAS 1780-19-4) is primarily used as an industrial building block and intermediate in chemical synthesis, serving as a scaffold for the preparation of heterocyclic and nitrogen-containing compounds in pharmaceutical and agrochemical development. It is also employed in fragrance and flavor chemistry as a precursor for tetrahydroquinoline-type fragrance ingredients or odorant derivatives. In materials science, it is used as a starting point to prepare tetrahydroquinoline-derived derivatives for specialty polymers and coatings. Additionally, it is valued in medicinal chemistry as a scaffold for exploring bioactive leads and in synthetic routes to more complex nitrogen-containing heterocycles. The exact use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 150.41
    methanol 115.83
    isopropanol 119.76
    water 0.2
    ethyl acetate 220.7
    n-propanol 146.94
    acetone 346.67
    n-butanol 142.32
    acetonitrile 236.29
    DMF 354.64
    toluene 177.65
    isobutanol 110.84
    1,4-dioxane 531.34
    methyl acetate 223.7
    THF 609.09
    2-butanone 268.72
    n-pentanol 111.0
    sec-butanol 102.11
    n-hexane 33.84
    ethylene glycol 25.99
    NMP 279.1
    cyclohexane 65.27
    DMSO 456.57
    n-butyl acetate 341.79
    n-octanol 118.35
    chloroform 752.94
    n-propyl acetate 156.05
    acetic acid 142.11
    dichloromethane 788.77
    cyclohexanone 415.51
    propylene glycol 38.95
    isopropyl acetate 119.61
    DMAc 275.64
    2-ethoxyethanol 116.8
    isopentanol 114.76
    n-heptane 68.21
    ethyl formate 182.8
    1,2-dichloroethane 385.35
    n-hexanol 254.26
    2-methoxyethanol 176.56
    isobutyl acetate 111.38
    tetrachloromethane 123.77
    n-pentyl acetate 139.6
    transcutol 537.14
    n-heptanol 104.18
    ethylbenzene 82.81
    MIBK 126.01
    2-propoxyethanol 289.34
    tert-butanol 127.46
    MTBE 144.48
    2-butoxyethanol 133.84
    propionic acid 132.13
    o-xylene 98.72
    formic acid 26.61
    diethyl ether 214.18
    m-xylene 113.96
    p-xylene 103.19
    chlorobenzene 259.39
    dimethyl carbonate 98.21
    n-octane 27.24
    formamide 48.03
    cyclopentanone 485.71
    2-pentanone 227.19
    anisole 142.53
    cyclopentyl methyl ether 257.34
    gamma-butyrolactone 472.41
    1-methoxy-2-propanol 152.64
    pyridine 393.35
    3-pentanone 200.24
    furfural 353.52
    n-dodecane 25.64
    diethylene glycol 144.79
    diisopropyl ether 69.57
    tert-amyl alcohol 98.87
    acetylacetone 235.57
    n-hexadecane 29.09
    acetophenone 131.33
    methyl propionate 185.98
    isopentyl acetate 235.29
    trichloroethylene 619.62
    n-nonanol 101.99
    cyclohexanol 130.14
    benzyl alcohol 97.02
    2-ethylhexanol 161.52
    isooctanol 78.81
    dipropyl ether 248.76
    1,2-dichlorobenzene 192.26
    ethyl lactate 64.28
    propylene carbonate 258.28
    n-methylformamide 148.19
    2-pentanol 84.9
    n-pentane 33.25
    1-propoxy-2-propanol 226.48
    1-methoxy-2-propyl acetate 216.99
    2-(2-methoxypropoxy) propanol 145.02
    mesitylene 76.27
    ε-caprolactone 280.83
    p-cymene 89.14
    epichlorohydrin 447.49
    1,1,1-trichloroethane 311.12
    2-aminoethanol 51.33
    morpholine-4-carbaldehyde 314.83
    sulfolane 473.65
    2,2,4-trimethylpentane 19.38
    2-methyltetrahydrofuran 374.31
    n-hexyl acetate 194.03
    isooctane 17.81
    2-(2-butoxyethoxy)ethanol 191.13
    sec-butyl acetate 91.66
    tert-butyl acetate 124.49
    decalin 33.13
    glycerin 54.08
    diglyme 363.92
    acrylic acid 107.71
    isopropyl myristate 95.88
    n-butyric acid 192.44
    acetyl acetate 150.14
    di(2-ethylhexyl) phthalate 83.33
    ethyl propionate 124.44
    nitromethane 293.46
    1,2-diethoxyethane 308.61
    benzonitrile 189.37
    trioctyl phosphate 65.6
    1-bromopropane 260.51
    gamma-valerolactone 437.87
    n-decanol 83.26
    triethyl phosphate 85.52
    4-methyl-2-pentanol 61.03
    propionitrile 208.37
    vinylene carbonate 243.64
    1,1,2-trichlorotrifluoroethane 198.57
    DMS 151.63
    cumene 62.3
    2-octanol 71.54
    2-hexanone 171.76
    octyl acetate 117.55
    limonene 128.58
    1,2-dimethoxyethane 290.25
    ethyl orthosilicate 80.97
    tributyl phosphate 82.77
    diacetone alcohol 118.75
    N,N-dimethylaniline 98.38
    acrylonitrile 225.23
    aniline 150.68
    1,3-propanediol 87.7
    bromobenzene 300.95
    dibromomethane 521.07
    1,1,2,2-tetrachloroethane 414.97
    2-methyl-cyclohexyl acetate 143.99
    tetrabutyl urea 106.59
    diisobutyl methanol 88.92
    2-phenylethanol 141.2
    styrene 105.11
    dioctyl adipate 113.39
    dimethyl sulfate 136.72
    ethyl butyrate 196.62
    methyl lactate 70.63
    butyl lactate 92.19
    diethyl carbonate 126.12
    propanediol butyl ether 111.63
    triethyl orthoformate 132.1
    p-tert-butyltoluene 82.5
    methyl 4-tert-butylbenzoate 129.13
    morpholine 403.96
    tert-butylamine 91.42
    n-dodecanol 71.42
    dimethoxymethane 268.48
    ethylene carbonate 212.08
    cyrene 121.46
    2-ethoxyethyl acetate 186.78
    2-ethylhexyl acetate 200.57
    1,2,4-trichlorobenzene 199.48
    4-methylpyridine 310.64
    dibutyl ether 193.59
    2,6-dimethyl-4-heptanol 88.92
    DEF 215.56
    dimethyl isosorbide 262.13
    tetrachloroethylene 278.02
    eugenol 117.09
    triacetin 171.14
    span 80 138.05
    1,4-butanediol 42.78
    1,1-dichloroethane 345.8
    2-methyl-1-pentanol 90.57
    methyl formate 141.31
    2-methyl-1-butanol 107.03
    n-decane 39.83
    butyronitrile 227.99
    3,7-dimethyl-1-octanol 104.05
    1-chlorooctane 114.92
    1-chlorotetradecane 53.65
    n-nonane 40.08
    undecane 31.25
    tert-butylcyclohexane 30.68
    cyclooctane 29.51
    cyclopentanol 148.36
    tetrahydropyran 430.8
    tert-amyl methyl ether 103.44
    2,5,8-trioxanonane 268.01
    1-hexene 110.91
    2-isopropoxyethanol 97.67
    2,2,2-trifluoroethanol 46.95
    methyl butyrate 159.13

    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