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테트라히드로티오펜

Tetrahydrothiophene

HCID 1127
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
110-01-0
표준 SMILES
C1CCSC1
InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N
분자식
C4H8S
평균 분자량
88.17 g/mol
단동위원소 질량
88.03467126

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 물성보충 중

XLogP
1.4
극성 표면적
25.3 Ų
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
Solubility · 2건

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

Solubility in water: none

Flash Point · 2건

55 °F (12 °C)

12 °C

Boiling Point · 2건

121.12 °C @ 760 MM HG

119-121 °C

Melting Point · 2건

-96.16 °C

-96.2 °C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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

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

Tetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.

관련 반응

75건
반응 기록 만들기
HRID 24964 반응식
HRID 24964반응물로uspto-grants-2005_02
HRID 24968 반응식
HRID 24968반응물로uspto-grants-2005_02
HRID 43294 반응식
HRID 43294반응물로uspto-grants-2013_09
HRID 99195 반응식
HRID 99195반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 138127 반응식
HRID 138127반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 163357 반응식
HRID 163357반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 168547 반응식
HRID 168547반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 225403 반응식
HRID 225403반응물로uspto-grants-2009_07
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더보기
새 노트새 반응견적 요청하기
Vapor Density
Relative vapor density (air = 1): 3.05
Odor Threshold1 part per billion

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.

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]
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

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]

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 · 1건

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 · 2건

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.

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.
Environmental BioconcentrationBecause of its low boiling point and low octanol water partition coeficient it should not bioconcentrate.
Non-Human Toxicity Excerpts · 3건

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 · 4건

Tetrahydrothiophene

PDF Document

Inadequate information to assess carcinogenic potential

2007

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)
용도

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.

상·하류 제품 정보

상류 원료

테트라하이드로푸란Thiophene(SIV) (9CI)

하류 제품

2,3-디히드로티오펜4-클로로부탄-1-설포닐클로라이드5-클로로오르타닐산S,S-Tetramethylenesulphoximide1,4-디아미노-5-니트로안트라퀴논4-(메틸아미노)-3-니트로페닐페닐케톤