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Tetrahydrothiophen

Tetrahydrothiophene

HCID 1127
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Grundinformationen

CAS
110-01-0
Standard-SMILES
C1CCSC1
InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N
Summenformel
C4H8S
Durchschnittliche Molmasse
88,17 g/mol
Monoisotopische Masse
88,03467126

Überblick

Tetrahydrothiophene appears as a water-white liquid. About the same density as water and insoluble in water. Vapors heavier than air. Used as a solvent and to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
Tetrahydrothiophene
IUPAC
thiolane
Lokaler Name
Tetrahydrothiophen
Englischer Name
Tetrahydrothiophene
Summenformel
C4H8S
Molmasse
88.17

Namen und Synonyme

tetrahydrothiopheneThiolane110-01-0ThiophaneThiophene, tetrahydro-ThiacyclopentaneTetramethylene sulfideThilaneTetrahydrothiophenTetramethylenesulfideThiofanPennodorant 1013
Weitere Namen anzeigen
THTTETRAHYDROTHIOPHEN 99%(GC)THIOLANTetrahydrothiophene (THT)
TetrahydrothiofenPennodorant 1073DTXSID3047760744EHT13FMNSC-5272DTXCID8027743CHEBI:48458THT, thiophene

Datenbank-Bezeichner

CAS
110-01-0
PubChem CID
1127
DTXSID
DTXSID3047760
ChEMBL
CHEMBL1379
ChEBI
CHEBI:48458
UNII
744EHT13FM
EC Number
203-728-9
Nikkaji
J2.444I

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,4
Polarare Oberfläche (TPSA)
25,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
5
Formalladung
0
Komplexität
22,8

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Thiophenes

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
LogP · 2 Einträge

1.8 (estimated by method of Leo et al, 1971).

1.8

OdorStench.
Density · 2 Einträge

0.9987 @ 20 °C/4 °C

Relative density (water = 1): 1.0

Color/FormWATER-WHITE LIQUID
Solubility · 2 Einträge

INSOLUBLE IN WATER; SOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE, BENZENE, IN ORGANIC SOLVENTS

Solubility in water: none

Flash Point · 2 Einträge

55 °F (12 °C)

12 °C

Boiling Point · 2 Einträge

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 11.5% (36 of 314) of reports.

Danger

H225 (88.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Thiophene, tetrahydro-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiophene, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Thiophene, tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 29-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/2145

Thiophene, tetrahydro-: HSNO Approval: HSR001225 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 3 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Heating will cause rise in pressure with risk of bursting. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesIdentified as a human metabolite of asparagus.

Verwendung und Herstellung

Uses · 6 Einträge

Used as a solvent, chemical intermediate, and odorant for fuel gas and other gases and liquids; [HSDB]

SOLVENT; INTERMEDIATE; FUEL GAS ODORANT

A HERBICIDAL COMPOSITION BASED ON BIPYRIDYLIUM COMPD CONTAIN TETRAHYDROTHIOPHENE AS THE OLFACTORY ALERTING AGENT IN ORDER TO AVERT INADVERTENT POISONING

THIOLANE IS USED AS A GROWTH REGULATOR

Used in odorization operations of natural gas.

For more Uses (Complete) data for TETRAHYDROTHIOPHENE (8 total), please visit the HSDB record page.

U.S. Production · 2 Einträge

2023: 75,000 - <500,000 lb

200,000 to 2,000,000 lb

Consumer UsesFragrance
Industry UsesFragrance
Methods of Manufacturing · 2 Einträge

Vapor-phase reaction of tetrahydrofuran and hydrogen sulfide over a heteropolyacid-promoted metal oxide catalyst followed by separation and distillation of tetrahydrothiophene.

Thiophene is reduced to tetrahydrothiophene by sodium in alcohol or ammonia, or with palladium, cobalt, molybdenum or rhenium catalysts under carefully controlled conditions.

General Manufacturing Information · 3 Einträge

Utilities

Thiophene, tetrahydro-: ACTIVE

A DISCUSSION IS GIVEN ON WASTEWATER FORMED IN NATURAL GAS UNDERGROUND STORAGE RESERVOIRS; ON AIR POLLUTION & WASTEWATERS; ON METHODS FOR TREATMENTS OF WASTEWATERS AND THE PREVENTION & CONTROL OF AIR POLLUTION IN THE ODORIZATION OF NATURAL GAS WITH TETRAHYDROTHIOPHENE.

Anwendungen

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121.12 °C @ 760 MM HG

119-121 °C

Melting Point · 2 Einträge

-96.16 °C

-96.2 °C

Vapor DensityRelative vapor density (air = 1): 3.05
Odor Threshold1 part per billion

Physikochemische Eigenschaften

Schmelzpunkt
-96 °C · -96 °C (lit.)
Siedepunkt
119 °C · 119 °C (lit.)
Dichte
1 g/mL · 1 g/mL at 25 °C (lit.)
Dampfdruck
18 mm · 18 mm Hg ( 25 °C)
Brechungsindex
20 · n20/D 1.504(lit.)
Flammpunkt
55 °F · 55 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
immiscible
Aggregatzustand
liquid
Wichte
1.002 · 1.002 (20/4℃)
Farbe
Colorless to Almost colorless
Geruch (Odor)
Smells of rotting eggs
PH
7 · 7 (H2O, 20℃)
Explosionsgrenze
1.1 · 1.1-12.1%(V)
Odor Threshold
0.00062 ppm · 0.00062ppm
Geruchsart
sulfurous
Wasserlöslichkeit
immiscible
Spezifische Wärmekapazität
1.05 J/ · Cp(gas): 1.05 J/(g·K), at 25℃
Merck
14 · 14,9218
BRN
102392 · 102392
Henry's Law Constant
2.2 · 2.2×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Dielectric constant
8.61 · 8.6099999999999994
Stabilität
Highly flammable. Vapour-air mixtures explosive in some proportions; note low flash point and fairly wide explosion limit range. Heavier than air, so potentially explosive mixtures may travel considerable distances to source of ignition.
InChI
1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N
SMILES
C1CCSC1
LogP
1.8 at · 1.8 at 20℃
CAS Datenbank
110 · 110-01-0(CAS DataBase Reference)
NIST chemische Informationen
Thiophene, tetrahydro-(110-01-0)
EPA chemische Informationen
Tetrahydrothiophene (110-01-0)
Fire PotentialFlammable liquid
Health Hazards · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryNot an eye irritant; Workers complained of nausea and headaches; [HSDB]
DOT ID and Guide2412 130
Reactive GroupSulfides, Organic
EC ClassificationSymbol: F, Xn; R: 11-20/21/22-36/38-52/53; S: (2)-16-23-36/37-61
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
TSCA RequirementsTSCA 1982 list of chemicals selected for review by ITC
Reactivity AlertsHighly Flammable

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Use water spray, alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest.

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

General First Aid:

Safe StorageFireproof. Separated from strong oxidants. Cool. Store in an area without drain or sewer access.
Exposure Control and Personal Protection · 2 Einträge

· Wear positive pressure self-contained breathing apparatus (SCBA).

50.0 [ppm]

Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Disposal MethodsBurn in a chemical incinerator equipped with an afterburner and scrubber but exert care in igniting as this material is highly flammable.
Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting.

Toxikologische Informationen

Environmental Fate · 2 Einträge

Atmospheric: Expected to rapidly oxidize by hydroxyl radicals in the atmosphere.

Terrestrial: Little tendency to sorb to soil.

Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and SymptomsHeadache. Nausea. Dizziness. Palpitations.
Human Toxicity Excerpts · 2 Einträge

Workers at a factory producing tetrahydrothiophene complained of headache, palpitations, giddiness, nausea or a general feeling of being unwell, after a short (unspecified) exposure.

...APPEARS TO BE SLIGHTLY LESS TOXIC THAN THIOPHENE. HOWEVER, LITTLE INFORMATION IS AVAILABLE.

Artificial Pollution SourcesPossible release from natural gas leaks due to its use as an odorant.
Environmental BiodegradationMicrobial metabolism probably involves oxidation of the sulfur and the aliphatic carbons.
Environmental BioconcentrationBecause of its low boiling point and low octanol water partition coeficient it should not bioconcentrate.
Non-Human Toxicity Excerpts · 3 Einträge

In studies conducted according to FHSA using the patch test technique on albino rabbit skin, the substance did not produce visible destruction or irreversible alterations in the tissue at the site of contact; not a skin irritant.

In studies conducted according to FHSA using the standard eye irritation test in albino rabbits, the noncorrosive substance did not induce local inflammatory reaction; not an eye irritant.

American Cyanamid (1982) tested tetrahydrothiophene in Salmonella Ames assay. The compound did not show mutagenicity to strains TA98, TA100, TA1535, and TA1537 at a concentration of 1000 ul/plate. Information on metabolic activation was not given. The compound was also non-mutagenic to strain WP-2 uvrA- of E. coli.

Toxicity DataLC50 (mice) = 27,000 mg/m3/2H
Non-Human Toxicity ValuesLD50 Rat oral 2,450 mg/kg
EPA Provisional Peer-Reviewed Toxicity Values · 4 Einträge

Tetrahydrothiophene

PDF Document

Inadequate information to assess carcinogenic potential

2007

Regulatorische Informationen

TSCA RequirementsTSCA 1982 list of chemicals selected for review by ITC

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2412
hs_code
29349990
RTECS-Nr.
XN0370000
risk_code
11-20/21/22-36/38-52/53
Toxizität
LD50 by inhalation in mice: 26.7 mg/l (Carlucci)
hazard_code
F,Xn
safety_code
16-23-36/37-61
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Giftige Stoffe Daten
110-01-0(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Selbstentzündungstemperatur
202 °C

VerwendenTetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.

Darstellung

synthetischeTetrahydrothiophene is prepared by the reaction of hydrogen sulfide and furan in the vapor phase at 400°C. This vapor-phase reaction is catalyzed by alumina(Al2O3) and other heterogenous acid catalysts.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

TetrahydrofuranThiophene(SIV) (9CI)

Nachgelagerte Produkte

2,3-Dihydrothiophene4-Chlorbutan-1-sulfonylchlorid2-Amino-5-chlorbenzolsulfonsureS,S-Tetramethylenesulphoximide1,4-Diamino-5-nitroanthrachinon[4-(Methylamino)-3-nitrophenyl]phenylketon