Preferred name | tetrahydrothiophene |
Trivial Name | Tetrahydrothiophene |
Short Description | thiophene, tetrahydro- |
Formula | C4 H8 S |
CAS Number | 110-01-0 |
ECHA Number | 203-728-9 |
FDA UNII | 744EHT13FM |
Nikkaji Number | J2.444I |
Beilstein Number | 0102392 |
MDL | MFCD00005476 |
xLogP3-AA | 1.40 (est) |
NMR Predictor | External link |
Synonyms |
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Google Scholar | Start search |
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Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
thiolane | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 110-01-0 |
Pubchem (cid): | 1127 |
Pubchem (sid): | 134974017 |
Flavornet: | 110-01-0 |
(IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
Videos: | The Periodic Table of Videos |
tgsc: | Atomic Weights use for this web site |
(IUPAC): | Periodic Table of the Elements |
CHEBI: | View |
CHEMBL: | View |
HMDB (The Human Metabolome Database): | Search |
FooDB: | FDB029635 |
Export Tariff Code: | 2934.90.5000 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Arkema | Chevron Phillips |
Penta International | Sigma-Aldrich: Aldrich |
TCI AMERICA | Penta International Corporation |
Material listed in food chemical codex | No |
Molecular weight | 88.172760009766 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.279 to 8.329 |
Refractive Index | 1.499 to 1.505 @ 20 °C |
Vapor Pressure | 17.452 mmHg @ 25 °C |
Vapor Density | 3.04 |
Flash Point TCC Value | 12.78 °C TCC |
logP (o/w) | 1.61 est |
Solubility | |
alcohol | Yes |
water, 3730 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Sulfurous | |
cabbage | |
General comment | At 0.01 % in propylene glycol. cabbage |
(data available) |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xn N - Harmful, Dangerous for the environment. | |
R 11 - Highly flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/38 - Irritating to skin and eyes. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 01/02 - Keep locked up and out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
None found. | |
GHS Label elements, including precautionary statements | |
Pictogram | |
Hazard statement(s) | |
None found. | |
Precautionary statement(s) | |
None found. | |
Oral/Parenteral Toxicity: | |
gavage-rat LD50 [sex: M,F (5/sex/group)] M:2000 F:1750 mg/kg (Auletta & Daly, 1985) oral-rat LD50 1200 (100% survival rate), 3000 (100% fatality rate) mg/kg (Dow Chemical Company, 1992a) oral-rat LD50 1750 mg/kg BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR National Technical Information Service. Vol. OTS0555157 | |
Dermal Toxicity: | |
Not determined | |
Inhalation Toxicity: | |
inhalation-mouse LC50 27 gm/m3/2hours National Technical Information Service. Vol. OTS0555157 inhalation-mouse LC50 27000 mg/m3/2H "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1088, 1986. |
Category: | |||
flavoring agents | |||
Recommendation for tetrahydrothiophene usage levels up to: | |||
not for fragrance use. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.024 (μg/capita/day) | ||
Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (μg/person/day) | ||
Threshold of Concern: | 540 (μg/person/day) | ||
Structure Class: | II | ||
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
average usage mg/kg | maximum usage mg/kg | ||
Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 | |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 | |
Processed fruit (04.1): | 0.20000 | 1.00000 | |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
Confectionery (05.0): | 0.20000 | 1.00000 | |
Chewing gum (05.3): | - | - | |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 | |
Bakery wares (07.0): | 0.20000 | 1.00000 | |
Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 | |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 | |
Eggs and egg products (10.0): | - | - | |
Sweeteners, including honey (11.0): | - | - | |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.30000 | |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 | |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 |
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) View page or View pdf |
Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf |
Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
EPI System: View |
NIOSH International Chemical Safety Cards:search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):110-01-0 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :1127 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 2412 |
WGK Germany:2 |
thiolane |
Chemidplus:0000110010 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:110-01-0 |