Unii-vbv00thq12

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  • Identifiers

    CAS number
    83418-54-6

    Molecular formula
    C10H19NS

    SMILES
    CCC1C(=NC(S1)C(C)CC)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Nutty 77.47%
    Roasted 74.85%
    Meaty 71.13%
    Vegetable 61.91%
    Chocolate 53.29%
    Cocoa 46.84%
    Sulfurous 40.72%
    Cooked 39.61%
    Potato 35.36%
    Coffee 34.76%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    185.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point est.
    105.43 ˚C

  • Synonyms

    • UNII-VBV00THQ12
    • FEMA No. 4318
    • VBV00THQ12
    • 5-Ethyl-2,5-dihydro-4-methyl-2-(1-methylpropyl)-thiazole
    • 5-Ethyl-4-methyl-2-(1-methylpropyl)-thiazoline
    • (Z+E)-5-Ethyl-4-methyl-2-(2-butyl) thiazoline
    • 83418-54-6
    • 5-Ethyl-4-methyl-2-(1-methylpropyl)-thiazoline, (Z and e)-
    • cis- and trans-5-Ethyl-4-methyl-2-(1-methylpropyl)-thiazoline
    • Thiazole, 5-ethyl-2,5-dihydro-4-methyl-2-(1-methylpropyl)-
    • DTXSID901019845

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 859.62
    methanol 677.06
    isopropanol 870.17
    water 0.65
    ethyl acetate 1742.02
    n-propanol 887.14
    acetone 2745.56
    n-butanol 934.7
    acetonitrile 1809.6
    DMF 2121.99
    toluene 2085.1
    isobutanol 865.19
    1,4-dioxane 3302.84
    methyl acetate 1721.01
    THF 5044.79
    2-butanone 2072.91
    n-pentanol 662.8
    sec-butanol 898.14
    n-hexane 196.83
    ethylene glycol 140.03
    NMP 2696.52
    cyclohexane 724.66
    DMSO 2069.58
    n-butyl acetate 2533.34
    n-octanol 768.28
    chloroform 7199.78
    n-propyl acetate 1312.2
    acetic acid 1094.44
    dichloromethane 5434.19
    cyclohexanone 4619.17
    propylene glycol 275.4
    isopropyl acetate 1328.96
    DMAc 1615.14
    2-ethoxyethanol 758.37
    isopentanol 916.24
    n-heptane 286.67
    ethyl formate 1374.37
    1,2-dichloroethane 2840.74
    n-hexanol 1142.28
    2-methoxyethanol 1167.28
    isobutyl acetate 919.37
    tetrachloromethane 1421.53
    n-pentyl acetate 1438.76
    transcutol 2666.96
    n-heptanol 659.93
    ethylbenzene 848.82
    MIBK 1081.35
    2-propoxyethanol 1390.29
    tert-butanol 1058.38
    MTBE 1342.62
    2-butoxyethanol 926.14
    propionic acid 966.56
    o-xylene 1011.2
    formic acid 189.42
    diethyl ether 1286.21
    m-xylene 1129.77
    p-xylene 1235.26
    chlorobenzene 3109.98
    dimethyl carbonate 587.61
    n-octane 131.08
    formamide 320.62
    cyclopentanone 4435.44
    2-pentanone 1780.68
    anisole 1379.09
    cyclopentyl methyl ether 2048.26
    gamma-butyrolactone 4282.55
    1-methoxy-2-propanol 956.14
    pyridine 3969.51
    3-pentanone 1289.15
    furfural 3682.68
    n-dodecane 115.08
    diethylene glycol 711.55
    diisopropyl ether 525.42
    tert-amyl alcohol 918.64
    acetylacetone 2186.83
    n-hexadecane 138.69
    acetophenone 1431.69
    methyl propionate 1187.6
    isopentyl acetate 2036.56
    trichloroethylene 6246.93
    n-nonanol 647.84
    cyclohexanol 1594.09
    benzyl alcohol 1109.97
    2-ethylhexanol 896.16
    isooctanol 552.12
    dipropyl ether 1018.99
    1,2-dichlorobenzene 2517.13
    ethyl lactate 457.91
    propylene carbonate 2673.68
    n-methylformamide 925.03
    2-pentanol 733.56
    n-pentane 210.41
    1-propoxy-2-propanol 1209.84
    1-methoxy-2-propyl acetate 1613.74
    2-(2-methoxypropoxy) propanol 846.53
    mesitylene 736.2
    ε-caprolactone 3222.72
    p-cymene 691.16
    epichlorohydrin 3739.06
    1,1,1-trichloroethane 3925.32
    2-aminoethanol 307.45
    morpholine-4-carbaldehyde 2551.13
    sulfolane 4110.75
    2,2,4-trimethylpentane 143.13
    2-methyltetrahydrofuran 3400.66
    n-hexyl acetate 1839.63
    isooctane 125.58
    2-(2-butoxyethoxy)ethanol 1111.82
    sec-butyl acetate 869.8
    tert-butyl acetate 1407.22
    decalin 274.74
    glycerin 361.98
    diglyme 2244.93
    acrylic acid 876.01
    isopropyl myristate 724.23
    n-butyric acid 1683.67
    acetyl acetate 1441.47
    di(2-ethylhexyl) phthalate 638.82
    ethyl propionate 928.96
    nitromethane 2083.33
    1,2-diethoxyethane 1488.72
    benzonitrile 2657.3
    trioctyl phosphate 477.86
    1-bromopropane 1845.35
    gamma-valerolactone 4601.33
    n-decanol 460.33
    triethyl phosphate 571.31
    4-methyl-2-pentanol 484.07
    propionitrile 1464.25
    vinylene carbonate 2638.68
    1,1,2-trichlorotrifluoroethane 2031.21
    DMS 1142.09
    cumene 533.38
    2-octanol 572.27
    2-hexanone 1302.56
    octyl acetate 875.41
    limonene 1023.61
    1,2-dimethoxyethane 1872.96
    ethyl orthosilicate 531.75
    tributyl phosphate 594.42
    diacetone alcohol 1071.96
    N,N-dimethylaniline 824.9
    acrylonitrile 1724.21
    aniline 1721.26
    1,3-propanediol 588.17
    bromobenzene 3869.32
    dibromomethane 3732.09
    1,1,2,2-tetrachloroethane 4369.69
    2-methyl-cyclohexyl acetate 1082.62
    tetrabutyl urea 704.4
    diisobutyl methanol 512.02
    2-phenylethanol 1294.25
    styrene 1227.45
    dioctyl adipate 888.94
    dimethyl sulfate 877.97
    ethyl butyrate 1391.07
    methyl lactate 536.35
    butyl lactate 861.03
    diethyl carbonate 919.54
    propanediol butyl ether 860.72
    triethyl orthoformate 919.61
    p-tert-butyltoluene 634.93
    methyl 4-tert-butylbenzoate 1092.05
    morpholine 2886.83
    tert-butylamine 712.41
    n-dodecanol 359.46
    dimethoxymethane 1312.82
    ethylene carbonate 2186.67
    cyrene 845.36
    2-ethoxyethyl acetate 1553.51
    2-ethylhexyl acetate 1667.87
    1,2,4-trichlorobenzene 2792.03
    4-methylpyridine 4052.99
    dibutyl ether 1050.8
    2,6-dimethyl-4-heptanol 512.02
    DEF 1576.75
    dimethyl isosorbide 1697.54
    tetrachloroethylene 2758.12
    eugenol 957.55
    triacetin 1373.35
    span 80 961.52
    1,4-butanediol 273.02
    1,1-dichloroethane 3364.28
    2-methyl-1-pentanol 663.0
    methyl formate 945.08
    2-methyl-1-butanol 883.63
    n-decane 195.81
    butyronitrile 1929.14
    3,7-dimethyl-1-octanol 714.25
    1-chlorooctane 755.02
    1-chlorotetradecane 299.55
    n-nonane 194.69
    undecane 141.71
    tert-butylcyclohexane 221.24
    cyclooctane 252.13
    cyclopentanol 1568.67
    tetrahydropyran 3388.83
    tert-amyl methyl ether 946.03
    2,5,8-trioxanonane 1363.07
    1-hexene 669.47
    2-isopropoxyethanol 636.9
    2,2,2-trifluoroethanol 435.24
    methyl butyrate 1410.24

    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