Tetrahydrothiophene

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  • Identifiers

    CAS number
    110-01-0

    Molecular formula
    C4H8S

    SMILES
    C1CCSC1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sulfurous 87.55%
    Alliaceous 65.11%
    Meaty 60.07%
    Garlic 59.74%
    Onion 54.94%
    Vegetable 46.37%
    Burnt 38.76%
    Savory 38.44%
    Roasted 36.02%
    Mushroom 34.81%

    Scent© AI

    Odor threshold>

    • 1 part per billion

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    88.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -96.16 °C
    • -96.2 °C

    Boiling point

    • 121.12 °C @ 760 MM HG
    • 119-121 °C

    Flash point est.
    15.09 ˚C

    Flash point expt.

    • 55 °F (12 °C)
    • 12 °C

    Solubility expt.

    • INSOLUBLE IN WATER; SOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE, BENZENE, IN ORGANIC SOLVENTS
    • Solubility in water: none

  • Synonyms

    • tetrahydrothiophene
    • Thiolane
    • 110-01-0
    • Thiophene, tetrahydro-
    • Thiophane
    • Thiacyclopentane
    • Tetramethylene sulfide
    • Thilane
    • Tetrahydrothiophen
    • Thiofan
    • Thiolan
    • Pennodorant 1013
    • Tetrahydrothiofen
    • Thiofan [Czech]
    • Tetramethylenesulfide
    • Pennodorant 1073
    • Tetrahydrothiofen [Czech]
    • NSC 5272
    • HSDB 6122
    • EINECS 203-728-9
    • UNII-744EHT13FM
    • UN2412
    • 744EHT13FM
    • DTXSID3047760
    • CHEBI:48458
    • Tetramethylene sulphide
    • AI3-30989
    • NSC-5272
    • THT
    • TETRAHYDROTHIOPHENE [MI]
    • DTXCID8027743
    • EC 203-728-9
    • UN 2412
    • THT, thiophene
    • MFCD00005476
    • thiocyclopentane
    • tetrahydro-thiophene
    • thiophene, tetrahydro
    • Tetrahydrothiophene, 99%
    • CHEMBL1379
    • NSC5272
    • Tox21_304026
    • AKOS006220479
    • Tetrahydrothiophene, analytical standard
    • NCGC00357279-01
    • CAS-110-01-0
    • NS00003128
    • T0114
    • EN300-105780
    • Q412118
    • Tetrahydrothiophene [UN2412] [Flammable liquid]
    • 203-728-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 592.67
    methanol 417.56
    isopropanol 461.22
    water 0.76
    ethyl acetate 520.88
    n-propanol 527.61
    acetone 985.08
    n-butanol 538.3
    acetonitrile 428.0
    DMF 524.01
    toluene 429.77
    isobutanol 379.96
    1,4-dioxane 954.73
    methyl acetate 440.47
    THF 1745.72
    2-butanone 697.34
    n-pentanol 335.56
    sec-butanol 432.17
    n-hexane 245.41
    ethylene glycol 151.27
    NMP 656.94
    cyclohexane 538.31
    DMSO 791.69
    n-butyl acetate 742.45
    n-octanol 317.24
    chloroform 1492.44
    n-propyl acetate 347.15
    acetic acid 654.7
    dichloromethane 1039.23
    cyclohexanone 1082.91
    propylene glycol 238.85
    isopropyl acetate 346.19
    DMAc 392.03
    2-ethoxyethanol 398.12
    isopentanol 384.85
    n-heptane 495.99
    ethyl formate 289.92
    1,2-dichloroethane 631.03
    n-hexanol 644.87
    2-methoxyethanol 576.73
    isobutyl acetate 244.8
    tetrachloromethane 359.06
    n-pentyl acetate 333.2
    transcutol 1259.81
    n-heptanol 328.75
    ethylbenzene 190.41
    MIBK 348.71
    2-propoxyethanol 749.48
    tert-butanol 494.03
    MTBE 451.78
    2-butoxyethanol 453.92
    propionic acid 453.81
    o-xylene 254.3
    formic acid 122.5
    diethyl ether 645.11
    m-xylene 276.1
    p-xylene 233.72
    chlorobenzene 469.24
    dimethyl carbonate 166.57
    n-octane 132.82
    formamide 149.4
    cyclopentanone 1265.5
    2-pentanone 617.0
    anisole 305.38
    cyclopentyl methyl ether 911.72
    gamma-butyrolactone 1006.22
    1-methoxy-2-propanol 526.08
    pyridine 867.11
    3-pentanone 503.33
    furfural 709.72
    n-dodecane 74.16
    diethylene glycol 453.16
    diisopropyl ether 268.24
    tert-amyl alcohol 384.25
    acetylacetone 553.26
    n-hexadecane 84.06
    acetophenone 264.81
    methyl propionate 396.25
    isopentyl acetate 487.75
    trichloroethylene 1082.85
    n-nonanol 280.33
    cyclohexanol 639.94
    benzyl alcohol 243.86
    2-ethylhexanol 471.74
    isooctanol 253.05
    dipropyl ether 831.56
    1,2-dichlorobenzene 359.66
    ethyl lactate 163.95
    propylene carbonate 530.32
    n-methylformamide 279.94
    2-pentanol 412.54
    n-pentane 291.79
    1-propoxy-2-propanol 753.0
    1-methoxy-2-propyl acetate 494.79
    2-(2-methoxypropoxy) propanol 316.19
    mesitylene 187.2
    ε-caprolactone 722.61
    p-cymene 234.16
    epichlorohydrin 831.88
    1,1,1-trichloroethane 744.77
    2-aminoethanol 270.77
    morpholine-4-carbaldehyde 601.04
    sulfolane 982.42
    2,2,4-trimethylpentane 93.29
    2-methyltetrahydrofuran 1109.84
    n-hexyl acetate 428.77
    isooctane 88.76
    2-(2-butoxyethoxy)ethanol 495.57
    sec-butyl acetate 235.77
    tert-butyl acetate 373.27
    decalin 134.21
    glycerin 287.59
    diglyme 884.53
    acrylic acid 384.84
    isopropyl myristate 205.87
    n-butyric acid 646.77
    acetyl acetate 353.15
    di(2-ethylhexyl) phthalate 146.11
    ethyl propionate 290.98
    nitromethane 578.63
    1,2-diethoxyethane 609.79
    benzonitrile 347.08
    trioctyl phosphate 136.64
    1-bromopropane 603.01
    gamma-valerolactone 1032.86
    n-decanol 209.2
    triethyl phosphate 175.75
    4-methyl-2-pentanol 216.82
    propionitrile 405.38
    vinylene carbonate 415.39
    1,1,2-trichlorotrifluoroethane 622.26
    DMS 221.3
    cumene 134.65
    2-octanol 218.21
    2-hexanone 414.76
    octyl acetate 252.0
    limonene 443.73
    1,2-dimethoxyethane 574.61
    ethyl orthosilicate 189.15
    tributyl phosphate 159.02
    diacetone alcohol 383.96
    N,N-dimethylaniline 199.11
    acrylonitrile 405.98
    aniline 413.55
    1,3-propanediol 367.03
    bromobenzene 537.94
    dibromomethane 894.45
    1,1,2,2-tetrachloroethane 880.99
    2-methyl-cyclohexyl acetate 326.67
    tetrabutyl urea 206.51
    diisobutyl methanol 286.2
    2-phenylethanol 324.44
    styrene 250.69
    dioctyl adipate 261.74
    dimethyl sulfate 207.29
    ethyl butyrate 470.49
    methyl lactate 201.64
    butyl lactate 262.31
    diethyl carbonate 257.49
    propanediol butyl ether 386.2
    triethyl orthoformate 348.8
    p-tert-butyltoluene 228.23
    methyl 4-tert-butylbenzoate 262.13
    morpholine 1017.98
    tert-butylamine 381.74
    n-dodecanol 170.48
    dimethoxymethane 429.21
    ethylene carbonate 386.51
    cyrene 250.77
    2-ethoxyethyl acetate 365.57
    2-ethylhexyl acetate 431.18
    1,2,4-trichlorobenzene 415.74
    4-methylpyridine 615.18
    dibutyl ether 512.64
    2,6-dimethyl-4-heptanol 286.2
    DEF 472.29
    dimethyl isosorbide 463.23
    tetrachloroethylene 661.22
    eugenol 236.52
    triacetin 344.47
    span 80 397.25
    1,4-butanediol 163.44
    1,1-dichloroethane 722.61
    2-methyl-1-pentanol 246.47
    methyl formate 213.29
    2-methyl-1-butanol 364.35
    n-decane 137.57
    butyronitrile 475.61
    3,7-dimethyl-1-octanol 289.1
    1-chlorooctane 276.56
    1-chlorotetradecane 121.38
    n-nonane 157.87
    undecane 94.67
    tert-butylcyclohexane 111.75
    cyclooctane 220.08
    cyclopentanol 683.43
    tetrahydropyran 1255.39
    tert-amyl methyl ether 362.48
    2,5,8-trioxanonane 554.76
    1-hexene 420.89
    2-isopropoxyethanol 308.27
    2,2,2-trifluoroethanol 186.75
    methyl butyrate 352.59

    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
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 1.2%