Pyridine, 3-(2,2-dimethylpropyl)-

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  • Identifiers

    CAS number
    90145-47-4

    Molecular formula
    C10H15N

    SMILES
    CC(C)(C)CC1=CN=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 71.19%
    Woody 60.47%
    Earthy 55.14%
    Leathery 45.35%
    Animal 43.55%
    Vetiver 39.69%
    Tobacco 33.56%
    Dry 32.63%
    Leafy 32.6%
    Herbal 28.61%

     

    Flavor
    Green 35.89%
    Earthy 30.44%
    Woody 30.03%
    Musty 29.37%
    Leather 23.81%
    Camphor 23.16%
    Green pepper 20.86%
    Syrup 20.76%
    Tomato leaf 20.61%
    Carrot 20.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.87 (weak acid)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    210°C

    Flash point

    • 71.79 ˚C est.

  • Synonyms

    • Pyridine, 3-(2,2-dimethylpropyl)-
    • 90145-47-4
    • 3-(2,2-DIMETHYLPROPYL)PYRIDINE
    • DTXSID3051410
    • RefChem:870640
    • DTXCID7030012
    • 640-094-6
    • 3-(2,2-dimethyl-propyl)-pyridine
    • RA2SP4XX9R
    • SCHEMBL74145
    • SCHEMBL2376699
    • SCHEMBL31358573
    • RQHPEPIGRLVQKS-UHFFFAOYSA-N
    • 90145-47-4

  • Applications

    Pyridine, 3-(2,2-dimethylpropyl)- (CAS 90145-47-4) is used as an intermediate in the synthesis of pharmaceutical and agrochemical compounds; it serves as a ligand in organometallic catalysis for key transformations; it acts as a precursor or fragrance-building block in perfumery and related odorant applications; it provides a building block in polymer and materials chemistry for functionalized pyridine-containing systems; and it is used in research and development as a scaffold for library generation of heterocyclic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.54
    methanol 57.03
    isopropanol 41.63
    water 0.41
    ethyl acetate 44.67
    n-propanol 54.44
    acetone 45.72
    n-butanol 57.68
    acetonitrile 31.19
    DMF 92.83
    toluene 64.25
    isobutanol 49.88
    1,4-dioxane 83.52
    methyl acetate 43.91
    THF 145.74
    2-butanone 57.07
    n-pentanol 45.15
    sec-butanol 48.13
    n-hexane 32.36
    ethylene glycol 21.32
    NMP 129.78
    cyclohexane 43.43
    DMSO 55.47
    n-butyl acetate 115.61
    n-octanol 60.6
    chloroform 179.51
    n-propyl acetate 42.09
    acetic acid 48.73
    dichloromethane 113.18
    cyclohexanone 114.69
    propylene glycol 38.69
    isopropyl acetate 36.37
    DMAc 93.56
    2-ethoxyethanol 49.05
    isopentanol 53.02
    n-heptane 82.87
    ethyl formate 35.9
    1,2-dichloroethane 64.31
    n-hexanol 166.46
    2-methoxyethanol 70.37
    isobutyl acetate 43.74
    tetrachloromethane 40.63
    n-pentyl acetate 49.76
    transcutol 141.94
    n-heptanol 69.03
    ethylbenzene 46.49
    MIBK 44.73
    2-propoxyethanol 156.08
    tert-butanol 69.28
    MTBE 62.29
    2-butoxyethanol 79.36
    propionic acid 50.58
    o-xylene 56.75
    formic acid 18.28
    diethyl ether 46.34
    m-xylene 60.13
    p-xylene 58.95
    chlorobenzene 67.86
    dimethyl carbonate 26.11
    n-octane 20.26
    formamide 14.99
    cyclopentanone 116.24
    2-pentanone 51.14
    anisole 65.42
    cyclopentyl methyl ether 92.51
    gamma-butyrolactone 104.95
    1-methoxy-2-propanol 70.31
    pyridine 84.51
    3-pentanone 47.94
    furfural 119.95
    n-dodecane 16.96
    diethylene glycol 89.82
    diisopropyl ether 26.96
    tert-amyl alcohol 64.65
    acetylacetone 48.75
    n-hexadecane 18.13
    acetophenone 66.16
    methyl propionate 45.3
    isopentyl acetate 111.49
    trichloroethylene 136.23
    n-nonanol 55.89
    cyclohexanol 73.31
    benzyl alcohol 52.41
    2-ethylhexanol 127.72
    isooctanol 52.58
    dipropyl ether 116.53
    1,2-dichlorobenzene 75.39
    ethyl lactate 41.09
    propylene carbonate 91.5
    n-methylformamide 34.83
    2-pentanol 43.6
    n-pentane 25.73
    1-propoxy-2-propanol 147.54
    1-methoxy-2-propyl acetate 105.02
    2-(2-methoxypropoxy) propanol 99.45
    mesitylene 48.25
    ε-caprolactone 90.61
    p-cymene 81.05
    epichlorohydrin 96.21
    1,1,1-trichloroethane 82.53
    2-aminoethanol 37.86
    morpholine-4-carbaldehyde 128.39
    sulfolane 134.24
    2,2,4-trimethylpentane 22.16
    2-methyltetrahydrofuran 111.08
    n-hexyl acetate 77.79
    isooctane 17.87
    2-(2-butoxyethoxy)ethanol 102.01
    sec-butyl acetate 36.38
    tert-butyl acetate 53.25
    decalin 31.46
    glycerin 50.97
    diglyme 135.91
    acrylic acid 47.1
    isopropyl myristate 45.09
    n-butyric acid 68.91
    acetyl acetate 34.04
    di(2-ethylhexyl) phthalate 61.53
    ethyl propionate 40.06
    nitromethane 45.26
    1,2-diethoxyethane 66.43
    benzonitrile 72.6
    trioctyl phosphate 44.56
    1-bromopropane 64.05
    gamma-valerolactone 132.86
    n-decanol 48.28
    triethyl phosphate 56.1
    4-methyl-2-pentanol 37.61
    propionitrile 47.06
    vinylene carbonate 79.71
    1,1,2-trichlorotrifluoroethane 106.2
    DMS 53.18
    cumene 45.73
    2-octanol 41.62
    2-hexanone 51.35
    octyl acetate 57.73
    limonene 107.56
    1,2-dimethoxyethane 82.64
    ethyl orthosilicate 57.43
    tributyl phosphate 48.18
    diacetone alcohol 65.89
    N,N-dimethylaniline 67.46
    acrylonitrile 46.62
    aniline 58.33
    1,3-propanediol 42.0
    bromobenzene 77.31
    dibromomethane 96.19
    1,1,2,2-tetrachloroethane 127.51
    2-methyl-cyclohexyl acetate 100.31
    tetrabutyl urea 64.41
    diisobutyl methanol 71.29
    2-phenylethanol 96.69
    styrene 47.03
    dioctyl adipate 64.12
    dimethyl sulfate 38.88
    ethyl butyrate 77.92
    methyl lactate 44.32
    butyl lactate 61.32
    diethyl carbonate 57.03
    propanediol butyl ether 78.88
    triethyl orthoformate 73.19
    p-tert-butyltoluene 83.52
    methyl 4-tert-butylbenzoate 88.54
    morpholine 99.41
    tert-butylamine 57.92
    n-dodecanol 43.53
    dimethoxymethane 58.81
    ethylene carbonate 62.62
    cyrene 95.1
    2-ethoxyethyl acetate 54.27
    2-ethylhexyl acetate 104.2
    1,2,4-trichlorobenzene 90.92
    4-methylpyridine 88.08
    dibutyl ether 60.58
    2,6-dimethyl-4-heptanol 71.29
    DEF 59.35
    dimethyl isosorbide 172.09
    tetrachloroethylene 86.18
    eugenol 86.23
    triacetin 70.42
    span 80 107.18
    1,4-butanediol 26.5
    1,1-dichloroethane 70.52
    2-methyl-1-pentanol 47.55
    methyl formate 30.78
    2-methyl-1-butanol 53.67
    n-decane 23.56
    butyronitrile 57.03
    3,7-dimethyl-1-octanol 68.17
    1-chlorooctane 55.11
    1-chlorotetradecane 32.29
    n-nonane 23.75
    undecane 19.43
    tert-butylcyclohexane 33.08
    cyclooctane 26.42
    cyclopentanol 68.22
    tetrahydropyran 103.04
    tert-amyl methyl ether 63.93
    2,5,8-trioxanonane 125.93
    1-hexene 55.39
    2-isopropoxyethanol 45.74
    2,2,2-trifluoroethanol 20.11
    methyl butyrate 51.23

    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