2-methyl-(2H)-thiapyran

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  • Identifiers

    CAS number
    15165-13-6

    Molecular formula
    C6H8S

    SMILES
    CC1C=CC=CS1

  • Odor profile

    Sulfurous 59.85%
    Onion 47.21%
    Garlic 45.27%
    Meaty 41.6%
    Alliaceous 39.66%
    Roasted 35.5%
    Savory 28.47%
    Pungent 27.96%
    Cooked 25.58%
    Burnt 24.36%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    112.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    134°C

    Flash point est.
    38.1 ˚C

  • Synonyms

    • 2-methyl-(2H)-thiapyran
    • 2-methyl-2H-thiopyran
    • 2H-Thiapyrane, 2-methyl
    • SCHEMBL2929477
    • OYDIECGUBNPZFY-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 396.67
    methanol 272.46
    isopropanol 230.07
    water 0.26
    ethyl acetate 865.86
    n-propanol 320.87
    acetone 718.16
    n-butanol 346.88
    acetonitrile 417.38
    DMF 374.65
    toluene 533.04
    isobutanol 176.51
    1,4-dioxane 1131.41
    methyl acetate 570.01
    THF 1334.09
    2-butanone 668.3
    n-pentanol 261.16
    sec-butanol 234.01
    n-hexane 69.62
    ethylene glycol 33.93
    NMP 488.92
    cyclohexane 150.14
    DMSO 449.54
    n-butyl acetate 1026.94
    n-octanol 159.93
    chloroform 1356.31
    n-propyl acetate 464.47
    acetic acid 299.38
    dichloromethane 1016.53
    cyclohexanone 883.33
    propylene glycol 63.67
    isopropyl acetate 397.61
    DMAc 330.57
    2-ethoxyethanol 335.29
    isopentanol 231.52
    n-heptane 139.69
    ethyl formate 384.13
    1,2-dichloroethane 607.44
    n-hexanol 435.03
    2-methoxyethanol 423.88
    isobutyl acetate 248.35
    tetrachloromethane 257.35
    n-pentyl acetate 371.3
    transcutol 1422.39
    n-heptanol 169.62
    ethylbenzene 137.47
    MIBK 284.64
    2-propoxyethanol 581.17
    tert-butanol 227.45
    MTBE 334.57
    2-butoxyethanol 273.06
    propionic acid 273.8
    o-xylene 204.62
    formic acid 64.57
    diethyl ether 762.45
    m-xylene 258.66
    p-xylene 154.53
    chlorobenzene 527.66
    dimethyl carbonate 143.52
    n-octane 39.2
    formamide 119.43
    cyclopentanone 884.59
    2-pentanone 634.9
    anisole 308.11
    cyclopentyl methyl ether 615.48
    gamma-butyrolactone 810.02
    1-methoxy-2-propanol 324.74
    pyridine 1001.32
    3-pentanone 471.14
    furfural 742.96
    n-dodecane 24.38
    diethylene glycol 257.48
    diisopropyl ether 199.37
    tert-amyl alcohol 203.13
    acetylacetone 584.37
    n-hexadecane 28.71
    acetophenone 251.27
    methyl propionate 460.51
    isopentyl acetate 560.44
    trichloroethylene 1188.16
    n-nonanol 144.62
    cyclohexanol 312.22
    benzyl alcohol 206.44
    2-ethylhexanol 296.23
    isooctanol 125.95
    dipropyl ether 579.46
    1,2-dichlorobenzene 369.01
    ethyl lactate 110.22
    propylene carbonate 441.34
    n-methylformamide 241.34
    2-pentanol 238.87
    n-pentane 96.01
    1-propoxy-2-propanol 510.19
    1-methoxy-2-propyl acetate 568.59
    2-(2-methoxypropoxy) propanol 256.88
    mesitylene 147.58
    ε-caprolactone 760.56
    p-cymene 146.27
    epichlorohydrin 898.23
    1,1,1-trichloroethane 706.34
    2-aminoethanol 92.14
    morpholine-4-carbaldehyde 688.63
    sulfolane 550.99
    2,2,4-trimethylpentane 33.96
    2-methyltetrahydrofuran 915.83
    n-hexyl acetate 362.37
    isooctane 35.74
    2-(2-butoxyethoxy)ethanol 385.41
    sec-butyl acetate 269.22
    tert-butyl acetate 347.22
    decalin 52.57
    glycerin 84.26
    diglyme 714.23
    acrylic acid 195.26
    isopropyl myristate 141.97
    n-butyric acid 495.56
    acetyl acetate 430.84
    di(2-ethylhexyl) phthalate 115.83
    ethyl propionate 299.35
    nitromethane 567.49
    1,2-diethoxyethane 920.35
    benzonitrile 380.9
    trioctyl phosphate 82.83
    1-bromopropane 571.45
    gamma-valerolactone 1033.68
    n-decanol 109.08
    triethyl phosphate 141.8
    4-methyl-2-pentanol 125.03
    propionitrile 375.69
    vinylene carbonate 452.97
    1,1,2-trichlorotrifluoroethane 406.28
    DMS 255.99
    cumene 79.46
    2-octanol 116.01
    2-hexanone 430.17
    octyl acetate 178.23
    limonene 249.54
    1,2-dimethoxyethane 568.47
    ethyl orthosilicate 151.87
    tributyl phosphate 115.95
    diacetone alcohol 279.53
    N,N-dimethylaniline 151.67
    acrylonitrile 360.81
    aniline 407.11
    1,3-propanediol 179.87
    bromobenzene 588.6
    dibromomethane 767.02
    1,1,2,2-tetrachloroethane 773.84
    2-methyl-cyclohexyl acetate 260.73
    tetrabutyl urea 134.84
    diisobutyl methanol 162.45
    2-phenylethanol 298.02
    styrene 212.09
    dioctyl adipate 178.37
    dimethyl sulfate 159.57
    ethyl butyrate 532.61
    methyl lactate 123.32
    butyl lactate 177.64
    diethyl carbonate 265.87
    propanediol butyl ether 187.12
    triethyl orthoformate 326.52
    p-tert-butyltoluene 141.36
    methyl 4-tert-butylbenzoate 183.49
    morpholine 1019.64
    tert-butylamine 159.59
    n-dodecanol 85.22
    dimethoxymethane 437.68
    ethylene carbonate 390.74
    cyrene 201.58
    2-ethoxyethyl acetate 531.53
    2-ethylhexyl acetate 495.4
    1,2,4-trichlorobenzene 426.16
    4-methylpyridine 836.08
    dibutyl ether 354.98
    2,6-dimethyl-4-heptanol 162.45
    DEF 525.59
    dimethyl isosorbide 467.71
    tetrachloroethylene 514.75
    eugenol 182.23
    triacetin 288.06
    span 80 242.8
    1,4-butanediol 70.7
    1,1-dichloroethane 724.72
    2-methyl-1-pentanol 193.86
    methyl formate 181.76
    2-methyl-1-butanol 220.36
    n-decane 44.21
    butyronitrile 515.71
    3,7-dimethyl-1-octanol 168.3
    1-chlorooctane 147.43
    1-chlorotetradecane 56.62
    n-nonane 46.75
    undecane 31.39
    tert-butylcyclohexane 46.48
    cyclooctane 65.77
    cyclopentanol 267.48
    tetrahydropyran 1150.43
    tert-amyl methyl ether 266.07
    2,5,8-trioxanonane 483.0
    1-hexene 226.34
    2-isopropoxyethanol 238.91
    2,2,2-trifluoroethanol 92.97
    methyl butyrate 382.81

    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

Botanical

Name CAS Botanical Proportion
Garlic (China) Allium sativum L., fam. Liliaceae 0.04%