Tetrahydrothiophene (HCID 1127)

개요

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.

이름 및 식별자

우선 이름: Tetrahydrothiophene
IUPAC: thiolane
현지명: 테트라히드로티오펜
영어명: Tetrahydrothiophene
분자식: C4H8S
분자량: 88.17

이름 및 동의어

tetrahydrothiopheneThiolane110-01-0ThiophaneThiophene, tetrahydro-ThiacyclopentaneTetramethylene sulfideThilaneTetrahydrothiophenTetramethylenesulfideThiofanPennodorant 1013

이름 더 보기

테트라히드로티오펜테트라하이드로티오펜THTTETRAHYDROTHIOPHEN 99%(GC)THIOLANTetrahydrothiophene (THT)

TetrahydrothiofenPennodorant 1073DTXSID3047760744EHT13FMNSC-5272DTXCID8027743CHEBI:48458THT, thiophene

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 22.8

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Thiophenes

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling

LogP · 2건

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

1.8

OdorStench.

Density · 2건

0.9987 @ 20 °C/4 °C

Relative density (water = 1): 1.0

Color/FormWATER-WHITE LIQUID

물리화학적 성질

녹는점: -96 °C · -96 °C (lit.)
끓는 점: 119 °C · 119 °C (lit.)
밀도: 1 g/mL · 1 g/mL at 25 °C (lit.)
증기압: 18 mm · 18 mm Hg ( 25 °C)
굴절률: 20 · n20/D 1.504(lit.)
인화점: 55 °F · 55 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 섞이지 않는
물리적 상태: 액체
Specific Gravity: 1.002 · 1.002 (20/4℃)
색상: 무색 내지 거의 무색
냄새: 계란 썩는 냄새
수소이온지수(pH): 7 · 7 (H2O, 20℃)
폭발한계: 1.1 · 1.1-12.1%(V)
Odor Threshold: 0.00062 ppm · 0.00062ppm
냄새 유형: 유황의
수용성: 섞일 수 없음
비열: 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
안정성: 가연성이 높습니다. 증기-공기 혼합물은 어느 정도 폭발성이 있습니다. 인화점이 낮고 폭발 한계 범위가 상당히 넓습니다. 공기보다 무거우므로 폭발 가능성이 있는 혼합물은 발화원까지 상당한 거리를 이동할 수 있습니다.
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℃
NIST: Thiophene, tetrahydro-(110-01-0)
EPA: Tetrahydrothiophene (110-01-0)

화학적 성질 · 1건

Tetrahydrothiophene is cyclic thioalkane, namely, saturated analog of thiophene. It is a colorless transparent volatile liquid, insoluble in water, miscible in ethanol, ether, benzene, acetone. It has a strong unpleasant odor, is stable and not easily emitted, and can be smelled in the air at 0.01PPm. It is not corrosive to gas equipment, transportation pipeline gaskets and other materials, and does not produce habitual blunting of the human sense of smell, so it is used as an odorant in LPG and natural gas, outlawing the original use of ethyl mercaptan and other odor-assigning agents.

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 6건

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 · 3건

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.

Fire PotentialFlammable liquid

Health Hazards · 2건

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]

안전 및 보호

Fire Fighting · 2건

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 · 4건

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 · 2건

· 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 · 2건

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 · 2건

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

50.0 [ppm]

독성 정보

Environmental Fate · 2건

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 · 2건

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.

규제 정보

TSCA RequirementsTSCA 1982 list of chemicals selected for review by ITC

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: XN0370000
ridadr: UN 2412
독성: LD50 by inhalation in mice: 26.7 mg/l (Carlucci)
HS 번호: 29349990
risk_code: 11-20/21/22-36/38-52/53
hazard_code: F,Xn
safety_code: 16-23-36/37-61
포장분류: II
위험 등급: 3
기존화학 물질: KE-33509
자연 발화 온도: 202 °C
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids
유해 물질 데이터: 110-01-0(Hazardous Substances Data)

화학 및 산업

약리 정보

Metabolism/MetabolitesIdentified as a human metabolite of asparagus.

용도 및 제조

Uses · 6건

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 · 2건

2023: 75,000 - <500,000 lb

200,000 to 2,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Methods of Manufacturing · 2건

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 · 3건

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.

응용 분야

용도Tetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.

일반 설명A water-white liquid. About the same density as water and insoluble in water. Flash point near 20°F. Vapors heavier than air. Used as a solvent and to make other chemicals.

제조 방법

Tetrahydrothiophene 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.