Thiane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1613-51-0

    Molecular formula
    C5H10S

    SMILES
    C1CCSCC1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 82.2%
    Alliaceous 62.79%
    Meaty 55.5%
    Garlic 54.93%
    Onion 52.37%
    Vegetable 42.74%
    Burnt 37.93%
    Savory 36.65%
    Roasted 34.07%
    Mushroom 30.87%

     

    Flavor
    Sulfurous 36.5%
    Ammoniacal 35.09%
    Animal 33.65%
    Alliaceous 33.12%
    Garlic 31.19%
    Fishy 29.67%
    Roasted 29.02%
    Onion 28.36%
    Amine 27.77%
    Shrimp 26.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.01 (neutral)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 30.58 ˚C est.

  • Synonyms

    • Thiane
    • 1613-51-0
    • Tetrahydrothiopyran
    • Pentamethylene sulfide
    • 2H-Thiopyran, tetrahydro-
    • Thiacyclohexane
    • TETRAHYDRO-2H-THIOPYRAN
    • pentamethylenesulfide
    • Penthiophane
    • Tetrahydrothiapyran
    • 1413-51-0
    • MFCD00006662
    • P9BB3YF628
    • NSC-9459
    • thian
    • tetrahydro-thiopyran
    • EINECS 216-561-1
    • Pentamethylene sulfane
    • SCHEMBL3431
    • UNII-P9BB3YF628
    • SCHEMBL13523
    • SCHEMBL43122
    • SCHEMBL143260
    • SCHEMBL156652
    • SCHEMBL157804
    • SCHEMBL1162964
    • SCHEMBL5778348
    • SCHEMBL5779200
    • SCHEMBL5779843
    • SCHEMBL8492626
    • SCHEMBL14698524
    • SCHEMBL20764729
    • SCHEMBL21082955
    • DTXSID60167108
    • NSC9459
    • NSC 9459
    • AKOS015903942
    • BS-43905
    • SY049662
    • NS00025263
    • P0044
    • D78391
    • EN300-155089
    • A810254
    • Q413411
    • InChI=1/C5H10S/c1-2-4-6-5-3-1/h1-5H
    • 1613-51-0

  • Applications

    Thiane (CAS 1613-51-0) is a cyclic sulfur-containing heterocycle that is typically used as an intermediate in organic synthesis and as a processing solvent in industrial manufacturing. It is often employed as a building block for sulfur-containing heterocycles in pharmaceutical and agrochemical development. It may serve as a fragrance/odorant component or fixative in perfumery and flavor formulations. In coatings, inks, and adhesives, it can function as a solvent or processing aid. It also may be used as a building block for sulfur-containing polymers or resins in plastics applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.03
    methanol 102.6
    isopropanol 110.61
    water 0.09
    ethyl acetate 481.96
    n-propanol 157.52
    acetone 347.0
    n-butanol 171.37
    acetonitrile 242.22
    DMF 193.45
    toluene 331.26
    isobutanol 106.77
    1,4-dioxane 674.01
    methyl acetate 310.3
    THF 1028.76
    2-butanone 368.74
    n-pentanol 108.0
    sec-butanol 144.3
    n-hexane 89.45
    ethylene glycol 25.07
    NMP 308.24
    cyclohexane 244.14
    DMSO 362.85
    n-butyl acetate 598.98
    n-octanol 114.46
    chloroform 1292.28
    n-propyl acetate 261.54
    acetic acid 210.11
    dichloromethane 989.65
    cyclohexanone 635.81
    propylene glycol 49.4
    isopropyl acetate 245.08
    DMAc 179.05
    2-ethoxyethanol 154.83
    isopentanol 127.65
    n-heptane 202.19
    ethyl formate 210.1
    1,2-dichloroethane 575.31
    n-hexanol 240.46
    2-methoxyethanol 231.45
    isobutyl acetate 150.2
    tetrachloromethane 263.92
    n-pentyl acetate 247.56
    transcutol 887.2
    n-heptanol 115.91
    ethylbenzene 126.92
    MIBK 169.6
    2-propoxyethanol 320.83
    tert-butanol 142.85
    MTBE 201.63
    2-butoxyethanol 192.53
    propionic acid 200.13
    o-xylene 163.35
    formic acid 29.82
    diethyl ether 400.74
    m-xylene 169.7
    p-xylene 142.37
    chlorobenzene 442.86
    dimethyl carbonate 85.71
    n-octane 58.21
    formamide 52.08
    cyclopentanone 704.41
    2-pentanone 331.22
    anisole 211.41
    cyclopentyl methyl ether 448.61
    gamma-butyrolactone 699.37
    1-methoxy-2-propanol 198.85
    pyridine 771.03
    3-pentanone 293.26
    furfural 598.28
    n-dodecane 30.69
    diethylene glycol 168.65
    diisopropyl ether 120.84
    tert-amyl alcohol 137.52
    acetylacetone 374.8
    n-hexadecane 35.76
    acetophenone 189.61
    methyl propionate 268.25
    isopentyl acetate 352.03
    trichloroethylene 1137.24
    n-nonanol 108.36
    cyclohexanol 215.43
    benzyl alcohol 140.55
    2-ethylhexanol 213.44
    isooctanol 92.34
    dipropyl ether 481.04
    1,2-dichlorobenzene 346.71
    ethyl lactate 85.25
    propylene carbonate 425.39
    n-methylformamide 109.95
    2-pentanol 133.77
    n-pentane 91.55
    1-propoxy-2-propanol 328.41
    1-methoxy-2-propyl acetate 339.3
    2-(2-methoxypropoxy) propanol 164.31
    mesitylene 104.94
    ε-caprolactone 541.24
    p-cymene 149.31
    epichlorohydrin 649.19
    1,1,1-trichloroethane 699.26
    2-aminoethanol 61.13
    morpholine-4-carbaldehyde 369.88
    sulfolane 614.83
    2,2,4-trimethylpentane 32.03
    2-methyltetrahydrofuran 670.12
    n-hexyl acetate 245.33
    isooctane 27.18
    2-(2-butoxyethoxy)ethanol 262.87
    sec-butyl acetate 171.82
    tert-butyl acetate 234.81
    decalin 67.56
    glycerin 73.58
    diglyme 558.33
    acrylic acid 161.08
    isopropyl myristate 123.43
    n-butyric acid 337.78
    acetyl acetate 311.62
    di(2-ethylhexyl) phthalate 86.03
    ethyl propionate 222.25
    nitromethane 325.67
    1,2-diethoxyethane 544.0
    benzonitrile 299.35
    trioctyl phosphate 71.16
    1-bromopropane 447.28
    gamma-valerolactone 624.3
    n-decanol 82.44
    triethyl phosphate 134.64
    4-methyl-2-pentanol 68.9
    propionitrile 273.39
    vinylene carbonate 352.88
    1,1,2-trichlorotrifluoroethane 393.96
    DMS 161.32
    cumene 75.85
    2-octanol 79.3
    2-hexanone 229.39
    octyl acetate 146.53
    limonene 266.28
    1,2-dimethoxyethane 336.25
    ethyl orthosilicate 136.16
    tributyl phosphate 97.28
    diacetone alcohol 186.99
    N,N-dimethylaniline 113.97
    acrylonitrile 279.11
    aniline 279.74
    1,3-propanediol 100.11
    bromobenzene 512.47
    dibromomethane 752.77
    1,1,2,2-tetrachloroethane 842.82
    2-methyl-cyclohexyl acetate 209.4
    tetrabutyl urea 117.46
    diisobutyl methanol 134.67
    2-phenylethanol 205.2
    styrene 186.81
    dioctyl adipate 165.57
    dimethyl sulfate 114.28
    ethyl butyrate 427.8
    methyl lactate 95.8
    butyl lactate 148.79
    diethyl carbonate 228.11
    propanediol butyl ether 124.91
    triethyl orthoformate 276.47
    p-tert-butyltoluene 140.02
    methyl 4-tert-butylbenzoate 169.67
    morpholine 599.76
    tert-butylamine 120.68
    n-dodecanol 68.44
    dimethoxymethane 214.4
    ethylene carbonate 313.05
    cyrene 136.85
    2-ethoxyethyl acetate 307.44
    2-ethylhexyl acetate 326.38
    1,2,4-trichlorobenzene 382.66
    4-methylpyridine 496.77
    dibutyl ether 330.9
    2,6-dimethyl-4-heptanol 134.67
    DEF 306.79
    dimethyl isosorbide 316.44
    tetrachloroethylene 596.86
    eugenol 140.95
    triacetin 238.06
    span 80 197.59
    1,4-butanediol 37.65
    1,1-dichloroethane 572.17
    2-methyl-1-pentanol 95.0
    methyl formate 93.52
    2-methyl-1-butanol 124.94
    n-decane 59.68
    butyronitrile 305.08
    3,7-dimethyl-1-octanol 125.66
    1-chlorooctane 150.16
    1-chlorotetradecane 60.19
    n-nonane 66.87
    undecane 40.47
    tert-butylcyclohexane 46.54
    cyclooctane 102.55
    cyclopentanol 218.13
    tetrahydropyran 777.91
    tert-amyl methyl ether 174.03
    2,5,8-trioxanonane 346.29
    1-hexene 200.98
    2-isopropoxyethanol 118.83
    2,2,2-trifluoroethanol 71.43
    methyl butyrate 269.2

    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