Quinoline, (1,1-dimethylethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61702-91-8

    Molecular formula
    C13H15N

    SMILES
    CC(C)(C)C1=C2C=CC=NC2=CC=C1

  • Odor profile

    Fragrance
    Animal 61.67%
    Leathery 58.0%
    Earthy 55.9%
    Green 43.65%
    Woody 40.4%
    Vetiver 39.36%
    Tobacco 36.46%
    Leafy 30.33%
    Dry 29.67%
    Herbal 29.58%

     

    Flavor
    Musty 33.13%
    Camphor 28.54%
    Herbal 28.21%
    Woody 27.34%
    Earthy 26.99%
    Green 26.84%
    Leather 26.72%
    Phenolic 24.9%
    Earth 22.57%
    Pepper 22.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.19 (weak acid)

    Molecular weight
    185.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    283°C

    Flash point

    • 124.66 ˚C est.

  • Synonyms

    • 5-tert-butylquinoline
    • 61702-91-8
    • Quinoline, (1,1-dimethylethyl)-
    • p-tertiary-Butylquinoline
    • EINECS 262-927-9
    • SCHEMBL761999
    • DTXSID10866871
    • CWVYYJOLOZEZOF-UHFFFAOYSA-N
    • NS00012070

  • Applications

    Quinoline, (1,1-dimethylethyl)- is often used as a building block in organic synthesis, serving as an intermediate for pharmaceutical and agrochemical actives, and as a precursor in the production of specialty dyes and pigments; in perfumery it is evaluated as a fragrance intermediate or odorant under controlled formulations, and in polymer and materials chemistry it provides a heterocyclic scaffold for specialty polymers and related materials; in industrial manufacturing it also appears as an intermediate feedstock for various chemical syntheses, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.36
    methanol 48.51
    isopropanol 69.11
    water 0.09
    ethyl acetate 179.36
    n-propanol 95.04
    acetone 252.4
    n-butanol 98.85
    acetonitrile 114.81
    DMF 431.67
    toluene 237.23
    isobutanol 89.45
    1,4-dioxane 386.37
    methyl acetate 173.96
    THF 762.98
    2-butanone 266.93
    n-pentanol 77.99
    sec-butanol 77.58
    n-hexane 64.03
    ethylene glycol 12.12
    NMP 396.72
    cyclohexane 88.8
    DMSO 197.55
    n-butyl acetate 354.15
    n-octanol 99.98
    chloroform 507.74
    n-propyl acetate 154.68
    acetic acid 46.93
    dichloromethane 533.1
    cyclohexanone 541.71
    propylene glycol 18.96
    isopropyl acetate 120.51
    DMAc 304.31
    2-ethoxyethanol 78.08
    isopentanol 90.52
    n-heptane 126.93
    ethyl formate 161.62
    1,2-dichloroethane 408.43
    n-hexanol 248.71
    2-methoxyethanol 123.03
    isobutyl acetate 137.24
    tetrachloromethane 88.8
    n-pentyl acetate 163.96
    transcutol 162.49
    n-heptanol 112.69
    ethylbenzene 168.56
    MIBK 148.91
    2-propoxyethanol 230.77
    tert-butanol 95.35
    MTBE 153.39
    2-butoxyethanol 122.71
    propionic acid 70.77
    o-xylene 160.17
    formic acid 9.04
    diethyl ether 183.91
    m-xylene 189.64
    p-xylene 206.43
    chlorobenzene 249.67
    dimethyl carbonate 96.59
    n-octane 46.81
    formamide 20.27
    cyclopentanone 644.61
    2-pentanone 243.8
    anisole 186.33
    cyclopentyl methyl ether 361.12
    gamma-butyrolactone 537.51
    1-methoxy-2-propanol 110.22
    pyridine 371.19
    3-pentanone 225.45
    furfural 316.63
    n-dodecane 30.86
    diethylene glycol 81.92
    diisopropyl ether 69.83
    tert-amyl alcohol 91.16
    acetylacetone 212.73
    n-hexadecane 35.09
    acetophenone 170.7
    methyl propionate 183.52
    isopentyl acetate 264.41
    trichloroethylene 584.41
    n-nonanol 89.91
    cyclohexanol 139.04
    benzyl alcohol 113.68
    2-ethylhexanol 185.63
    isooctanol 82.28
    dipropyl ether 303.9
    1,2-dichlorobenzene 202.46
    ethyl lactate 65.57
    propylene carbonate 275.32
    n-methylformamide 120.95
    2-pentanol 70.05
    n-pentane 46.99
    1-propoxy-2-propanol 181.41
    1-methoxy-2-propyl acetate 200.93
    2-(2-methoxypropoxy) propanol 99.74
    mesitylene 117.61
    ε-caprolactone 349.9
    p-cymene 153.01
    epichlorohydrin 536.58
    1,1,1-trichloroethane 299.46
    2-aminoethanol 27.4
    morpholine-4-carbaldehyde 344.61
    sulfolane 440.5
    2,2,4-trimethylpentane 24.65
    2-methyltetrahydrofuran 456.91
    n-hexyl acetate 204.03
    isooctane 19.33
    2-(2-butoxyethoxy)ethanol 118.21
    sec-butyl acetate 104.92
    tert-butyl acetate 128.32
    decalin 54.06
    glycerin 23.3
    diglyme 246.9
    acrylic acid 56.79
    isopropyl myristate 91.6
    n-butyric acid 121.02
    acetyl acetate 97.84
    di(2-ethylhexyl) phthalate 79.87
    ethyl propionate 148.53
    nitromethane 125.28
    1,2-diethoxyethane 188.71
    benzonitrile 179.12
    trioctyl phosphate 68.91
    1-bromopropane 298.88
    gamma-valerolactone 542.94
    n-decanol 76.28
    triethyl phosphate 86.86
    4-methyl-2-pentanol 52.8
    propionitrile 159.54
    vinylene carbonate 232.5
    1,1,2-trichlorotrifluoroethane 142.64
    DMS 146.92
    cumene 122.9
    2-octanol 79.43
    2-hexanone 202.18
    octyl acetate 123.11
    limonene 201.47
    1,2-dimethoxyethane 269.46
    ethyl orthosilicate 82.55
    tributyl phosphate 73.7
    diacetone alcohol 119.23
    N,N-dimethylaniline 162.9
    acrylonitrile 165.54
    aniline 138.36
    1,3-propanediol 47.38
    bromobenzene 299.21
    dibromomethane 396.22
    1,1,2,2-tetrachloroethane 438.82
    2-methyl-cyclohexyl acetate 174.5
    tetrabutyl urea 116.92
    diisobutyl methanol 90.02
    2-phenylethanol 173.19
    styrene 160.86
    dioctyl adipate 108.27
    dimethyl sulfate 130.85
    ethyl butyrate 212.45
    methyl lactate 61.01
    butyl lactate 95.02
    diethyl carbonate 122.65
    propanediol butyl ether 78.55
    triethyl orthoformate 127.56
    p-tert-butyltoluene 138.7
    methyl 4-tert-butylbenzoate 146.1
    morpholine 361.72
    tert-butylamine 75.19
    n-dodecanol 66.37
    dimethoxymethane 273.75
    ethylene carbonate 211.88
    cyrene 122.78
    2-ethoxyethyl acetate 154.83
    2-ethylhexyl acetate 248.78
    1,2,4-trichlorobenzene 213.21
    4-methylpyridine 372.36
    dibutyl ether 175.28
    2,6-dimethyl-4-heptanol 90.02
    DEF 254.12
    dimethyl isosorbide 236.15
    tetrachloroethylene 259.49
    eugenol 123.76
    triacetin 119.72
    span 80 95.12
    1,4-butanediol 27.17
    1,1-dichloroethane 329.12
    2-methyl-1-pentanol 79.37
    methyl formate 129.36
    2-methyl-1-butanol 90.57
    n-decane 47.57
    butyronitrile 196.57
    3,7-dimethyl-1-octanol 93.18
    1-chlorooctane 135.95
    1-chlorotetradecane 62.07
    n-nonane 50.23
    undecane 37.07
    tert-butylcyclohexane 49.44
    cyclooctane 42.1
    cyclopentanol 164.38
    tetrahydropyran 460.67
    tert-amyl methyl ether 138.23
    2,5,8-trioxanonane 158.3
    1-hexene 166.71
    2-isopropoxyethanol 75.13
    2,2,2-trifluoroethanol 22.5
    methyl butyrate 211.83

    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