2-(4-Methylthiazol-5-yl)ethyl valerate

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  • Identifiers

    CAS number
    94159-30-5

    Molecular formula
    C11H17NO2S

    SMILES
    CCCCC(=O)OCCC1=C(N=CS1)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 79.28%
    Roasted 79.28%
    Meaty 59.3%
    Fatty 46.02%
    Hazelnut 34.08%
    Cooked 33.97%
    Savory 33.46%
    Coffee 31.46%
    Popcorn 30.58%
    Beefy 28.67%

     

    Flavor
    Fruity 75.89%
    Pineapple 47.55%
    Sweet 40.04%
    Tropical 38.35%
    Green 34.76%
    Berry 34.61%
    Grape 30.44%
    Apple 30.43%
    Fatty 30.35%
    Fruit 29.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.08 (neutral)

    Molecular weight
    227.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 128.34 ˚C est.

  • Synonyms

    • 2-(4-Methylthiazol-5-yl)ethyl valerate
    • 94159-30-5
    • EINECS 303-208-2
    • HP7RFM9HGB
    • 2-(4-methyl-1,3-thiazol-5-yl)ethyl pentanoate
    • UNII-HP7RFM9HGB
    • DTXSID80240861
    • YCFURYOJKUTCOJ-UHFFFAOYSA-N
    • AKOS017182348
    • NS00040182
    • PENTANOIC ACID, 2-(4-METHYL-5-THIAZOLYL)ETHYL ESTER
    • 94159-30-5

  • Applications

    2-(4-Methylthiazol-5-yl)ethyl valerate is commonly used as an aroma chemical in perfumery, contributing distinctive odor notes and, in some cases, serving as a building block in fragrance synthesis. It is also evaluated for use in cosmetics and personal care products as a fragrance ingredient. In household products, it functions as a scent additive in air fresheners and cleaners. The compound may be used as a flavor/aroma ingredient in food flavor formulations where permitted by regulation. Industrially, it is encountered as an intermediate in the synthesis of related aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.77
    methanol 155.43
    isopropanol 70.37
    water 0.52
    ethyl acetate 131.74
    n-propanol 84.32
    acetone 222.16
    n-butanol 89.3
    acetonitrile 131.76
    DMF 630.23
    toluene 154.11
    isobutanol 66.27
    1,4-dioxane 360.77
    methyl acetate 147.54
    THF 280.87
    2-butanone 195.3
    n-pentanol 86.04
    sec-butanol 67.96
    n-hexane 3.03
    ethylene glycol 28.46
    NMP 426.12
    cyclohexane 11.59
    DMSO 520.96
    n-butyl acetate 121.35
    n-octanol 20.7
    chloroform 909.12
    n-propyl acetate 106.41
    acetic acid 229.78
    dichloromethane 747.63
    cyclohexanone 354.28
    propylene glycol 43.04
    isopropyl acetate 89.53
    DMAc 735.21
    2-ethoxyethanol 209.92
    isopentanol 93.47
    n-heptane 1.95
    ethyl formate 101.88
    1,2-dichloroethane 417.37
    n-hexanol 61.86
    2-methoxyethanol 249.96
    isobutyl acetate 77.78
    tetrachloromethane 70.59
    n-pentyl acetate 66.85
    transcutol 573.75
    n-heptanol 28.91
    ethylbenzene 65.34
    MIBK 89.8
    2-propoxyethanol 160.02
    tert-butanol 111.55
    MTBE 96.59
    2-butoxyethanol 90.74
    propionic acid 105.25
    o-xylene 89.93
    formic acid 100.32
    diethyl ether 82.54
    m-xylene 78.26
    p-xylene 100.55
    chlorobenzene 278.33
    dimethyl carbonate 68.69
    n-octane 1.17
    formamide 166.37
    cyclopentanone 286.53
    2-pentanone 130.38
    anisole 181.89
    cyclopentyl methyl ether 112.96
    gamma-butyrolactone 306.96
    1-methoxy-2-propanol 155.52
    pyridine 440.66
    3-pentanone 123.39
    furfural 454.13
    n-dodecane 1.62
    diethylene glycol 145.76
    diisopropyl ether 22.49
    tert-amyl alcohol 88.56
    acetylacetone 197.74
    n-hexadecane 1.93
    acetophenone 197.8
    methyl propionate 109.46
    isopentyl acetate 113.87
    trichloroethylene 943.34
    n-nonanol 22.94
    cyclohexanol 107.05
    benzyl alcohol 176.76
    2-ethylhexanol 40.37
    isooctanol 27.05
    dipropyl ether 33.31
    1,2-dichlorobenzene 251.35
    ethyl lactate 60.09
    propylene carbonate 181.79
    n-methylformamide 169.21
    2-pentanol 48.66
    n-pentane 2.72
    1-propoxy-2-propanol 99.8
    1-methoxy-2-propyl acetate 137.14
    2-(2-methoxypropoxy) propanol 130.43
    mesitylene 44.62
    ε-caprolactone 264.06
    p-cymene 32.14
    epichlorohydrin 456.1
    1,1,1-trichloroethane 325.57
    2-aminoethanol 69.98
    morpholine-4-carbaldehyde 485.36
    sulfolane 388.9
    2,2,4-trimethylpentane 4.66
    2-methyltetrahydrofuran 196.14
    n-hexyl acetate 77.32
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 161.17
    sec-butyl acetate 76.91
    tert-butyl acetate 103.08
    decalin 9.58
    glycerin 86.62
    diglyme 315.43
    acrylic acid 120.38
    isopropyl myristate 34.43
    n-butyric acid 161.09
    acetyl acetate 113.48
    di(2-ethylhexyl) phthalate 55.41
    ethyl propionate 83.78
    nitromethane 379.72
    1,2-diethoxyethane 153.83
    benzonitrile 224.43
    trioctyl phosphate 28.13
    1-bromopropane 145.94
    gamma-valerolactone 492.18
    n-decanol 17.94
    triethyl phosphate 59.08
    4-methyl-2-pentanol 37.19
    propionitrile 105.25
    vinylene carbonate 212.36
    1,1,2-trichlorotrifluoroethane 344.41
    DMS 113.46
    cumene 40.94
    2-octanol 18.69
    2-hexanone 119.83
    octyl acetate 43.52
    limonene 42.76
    1,2-dimethoxyethane 329.45
    ethyl orthosilicate 54.32
    tributyl phosphate 42.42
    diacetone alcohol 123.14
    N,N-dimethylaniline 119.7
    acrylonitrile 159.13
    aniline 189.36
    1,3-propanediol 110.34
    bromobenzene 293.51
    dibromomethane 420.51
    1,1,2,2-tetrachloroethane 699.39
    2-methyl-cyclohexyl acetate 88.52
    tetrabutyl urea 63.6
    diisobutyl methanol 25.67
    2-phenylethanol 117.18
    styrene 107.94
    dioctyl adipate 68.58
    dimethyl sulfate 149.66
    ethyl butyrate 80.25
    methyl lactate 74.67
    butyl lactate 66.5
    diethyl carbonate 69.46
    propanediol butyl ether 82.25
    triethyl orthoformate 68.48
    p-tert-butyltoluene 30.12
    methyl 4-tert-butylbenzoate 109.37
    morpholine 379.39
    tert-butylamine 60.56
    n-dodecanol 14.56
    dimethoxymethane 197.68
    ethylene carbonate 161.36
    cyrene 160.53
    2-ethoxyethyl acetate 133.11
    2-ethylhexyl acetate 95.0
    1,2,4-trichlorobenzene 311.0
    4-methylpyridine 411.73
    dibutyl ether 34.18
    2,6-dimethyl-4-heptanol 25.67
    DEF 212.16
    dimethyl isosorbide 205.56
    tetrachloroethylene 398.5
    eugenol 129.72
    triacetin 114.94
    span 80 96.15
    1,4-butanediol 62.79
    1,1-dichloroethane 345.47
    2-methyl-1-pentanol 95.27
    methyl formate 118.07
    2-methyl-1-butanol 82.45
    n-decane 2.21
    butyronitrile 111.58
    3,7-dimethyl-1-octanol 30.79
    1-chlorooctane 15.93
    1-chlorotetradecane 8.47
    n-nonane 1.71
    undecane 1.81
    tert-butylcyclohexane 7.04
    cyclooctane 3.0
    cyclopentanol 95.29
    tetrahydropyran 231.64
    tert-amyl methyl ether 74.56
    2,5,8-trioxanonane 242.26
    1-hexene 23.25
    2-isopropoxyethanol 127.22
    2,2,2-trifluoroethanol 92.82
    methyl butyrate 123.78

    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