1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one

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  • Identifiers

    CAS number
    13679-83-9

    Molecular formula
    C7H9NOS

    SMILES
    CCC(=O)C1=NC(=CS1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 64.77%
    Green 62.43%
    Nutty 55.72%
    Roasted 47.21%
    Meaty 41.93%
    Tropical 28.77%
    Vegetable 27.51%
    Cooked 26.13%
    Cocoa 25.36%
    Hazelnut 25.27%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    155.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    247°C

    Flash point est.
    95.85 ˚C

  • Synonyms

    • 13679-83-9
    • 1-Propanone, 1-(4-methyl-2-thiazolyl)-
    • 4-Methyl-2-propionylthiazole
    • 1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
    • N5VFJ8K62L
    • DTXSID90608731
    • UNII-N5VFJ8K62L
    • 1-Propanone,1-(4-methyl-2-thiazolyl)-
    • 4-Methyl-2-propionyl-thiazol
    • 4-methyl-2-propionyl thiazole
    • 4-Methyl-2-propionyl-thiazole
    • SCHEMBL6840495
    • DTXCID60559488
    • NAA67983
    • NS00125698
    • EN300-330105
    • Q27284585
    • 844-998-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.67
    methanol 241.11
    isopropanol 128.84
    water 5.25
    ethyl acetate 195.62
    n-propanol 130.22
    acetone 393.6
    n-butanol 128.42
    acetonitrile 268.05
    DMF 1147.79
    toluene 204.71
    isobutanol 117.25
    1,4-dioxane 314.12
    methyl acetate 272.22
    THF 349.82
    2-butanone 290.22
    n-pentanol 126.51
    sec-butanol 129.31
    n-hexane 15.64
    ethylene glycol 102.88
    NMP 828.61
    cyclohexane 33.79
    DMSO 718.38
    n-butyl acetate 167.77
    n-octanol 123.78
    chloroform 779.63
    n-propyl acetate 160.23
    acetic acid 205.27
    dichloromethane 812.06
    cyclohexanone 455.06
    propylene glycol 87.63
    isopropyl acetate 127.6
    DMAc 859.38
    2-ethoxyethanol 215.19
    isopentanol 116.72
    n-heptane 19.82
    ethyl formate 228.51
    1,2-dichloroethane 462.08
    n-hexanol 128.74
    2-methoxyethanol 325.16
    isobutyl acetate 105.64
    tetrachloromethane 146.9
    n-pentyl acetate 151.44
    transcutol 345.24
    n-heptanol 89.6
    ethylbenzene 141.27
    MIBK 143.1
    2-propoxyethanol 224.84
    tert-butanol 148.27
    MTBE 132.86
    2-butoxyethanol 158.92
    propionic acid 170.69
    o-xylene 178.77
    formic acid 88.94
    diethyl ether 115.13
    m-xylene 158.6
    p-xylene 210.37
    chlorobenzene 346.52
    dimethyl carbonate 171.64
    n-octane 15.95
    formamide 160.09
    cyclopentanone 500.54
    2-pentanone 203.93
    anisole 262.6
    cyclopentyl methyl ether 173.6
    gamma-butyrolactone 518.4
    1-methoxy-2-propanol 225.0
    pyridine 439.55
    3-pentanone 201.42
    furfural 688.38
    n-dodecane 19.65
    diethylene glycol 226.58
    diisopropyl ether 50.37
    tert-amyl alcohol 141.97
    acetylacetone 312.37
    n-hexadecane 22.67
    acetophenone 295.53
    methyl propionate 223.8
    isopentyl acetate 154.36
    trichloroethylene 953.62
    n-nonanol 106.54
    cyclohexanol 152.21
    benzyl alcohol 230.68
    2-ethylhexanol 102.85
    isooctanol 81.63
    dipropyl ether 92.55
    1,2-dichlorobenzene 359.14
    ethyl lactate 129.91
    propylene carbonate 303.56
    n-methylformamide 351.71
    2-pentanol 91.22
    n-pentane 17.01
    1-propoxy-2-propanol 158.99
    1-methoxy-2-propyl acetate 185.24
    2-(2-methoxypropoxy) propanol 173.99
    mesitylene 113.53
    ε-caprolactone 325.05
    p-cymene 104.17
    epichlorohydrin 491.77
    1,1,1-trichloroethane 433.91
    2-aminoethanol 119.03
    morpholine-4-carbaldehyde 643.76
    sulfolane 767.78
    2,2,4-trimethylpentane 17.05
    2-methyltetrahydrofuran 234.15
    n-hexyl acetate 210.97
    isooctane 13.27
    2-(2-butoxyethoxy)ethanol 204.7
    sec-butyl acetate 111.58
    tert-butyl acetate 142.14
    decalin 32.2
    glycerin 147.46
    diglyme 396.01
    acrylic acid 205.89
    isopropyl myristate 104.19
    n-butyric acid 182.95
    acetyl acetate 172.6
    di(2-ethylhexyl) phthalate 109.72
    ethyl propionate 155.59
    nitromethane 485.92
    1,2-diethoxyethane 164.52
    benzonitrile 391.22
    trioctyl phosphate 84.22
    1-bromopropane 199.06
    gamma-valerolactone 566.24
    n-decanol 84.63
    triethyl phosphate 100.97
    4-methyl-2-pentanol 64.49
    propionitrile 209.83
    vinylene carbonate 381.27
    1,1,2-trichlorotrifluoroethane 401.39
    DMS 215.46
    cumene 104.54
    2-octanol 87.03
    2-hexanone 174.11
    octyl acetate 129.42
    limonene 135.79
    1,2-dimethoxyethane 393.94
    ethyl orthosilicate 94.29
    tributyl phosphate 95.89
    diacetone alcohol 176.94
    N,N-dimethylaniline 212.94
    acrylonitrile 359.31
    aniline 210.3
    1,3-propanediol 146.89
    bromobenzene 395.01
    dibromomethane 459.77
    1,1,2,2-tetrachloroethane 651.9
    2-methyl-cyclohexyl acetate 147.75
    tetrabutyl urea 148.34
    diisobutyl methanol 70.63
    2-phenylethanol 189.99
    styrene 190.31
    dioctyl adipate 139.84
    dimethyl sulfate 337.45
    ethyl butyrate 158.91
    methyl lactate 165.29
    butyl lactate 133.9
    diethyl carbonate 130.54
    propanediol butyl ether 169.53
    triethyl orthoformate 113.22
    p-tert-butyltoluene 96.44
    methyl 4-tert-butylbenzoate 214.35
    morpholine 276.32
    tert-butylamine 100.58
    n-dodecanol 69.96
    dimethoxymethane 345.25
    ethylene carbonate 274.15
    cyrene 227.92
    2-ethoxyethyl acetate 185.11
    2-ethylhexyl acetate 129.98
    1,2,4-trichlorobenzene 405.38
    4-methylpyridine 466.18
    dibutyl ether 115.55
    2,6-dimethyl-4-heptanol 70.63
    DEF 352.23
    dimethyl isosorbide 296.48
    tetrachloroethylene 457.42
    eugenol 235.85
    triacetin 213.23
    span 80 157.02
    1,4-butanediol 102.05
    1,1-dichloroethane 391.41
    2-methyl-1-pentanol 114.3
    methyl formate 341.34
    2-methyl-1-butanol 119.36
    n-decane 26.92
    butyronitrile 211.8
    3,7-dimethyl-1-octanol 108.94
    1-chlorooctane 100.44
    1-chlorotetradecane 52.4
    n-nonane 24.65
    undecane 22.45
    tert-butylcyclohexane 27.33
    cyclooctane 14.89
    cyclopentanol 167.75
    tetrahydropyran 193.24
    tert-amyl methyl ether 123.42
    2,5,8-trioxanonane 298.39
    1-hexene 65.27
    2-isopropoxyethanol 157.08
    2,2,2-trifluoroethanol 115.19
    methyl butyrate 225.62

    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