Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
테트라히드로티오펜
테트라히드로티오펜 · 테트라하이드로티오펜 · THT · THIOLANE · Tetrahydrothiophen · TETRAMETHYLENE SULFIDE · Thiophene, tetrahydro- · THIOPHANE
식별자 및 물리적 특성
| CAS No. | 110-01-0 |
|---|---|
| 분자식 | C4H8S |
| 평균 분자량 | 88.17 g/mol |
| 단동위원소 질량 | 88.03467126 g/mol |
| SMILES | C1CCSC1 |
| InChIKey | RAOIDOHSFRTOEL-UHFFFAOYSA-N |
| PubChem CID | 1127 |
| ChEMBL | CHEMBL1379 |
| ChEBI | CHEBI:48458 |
| EC No. | 203-728-9 |
| DTXSID | DTXSID3047760 |
| 현지명 | 테트라히드로티오펜 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 25.3 |
| 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 |
| 물질 분류 | Other Classes -> ThiophenesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP(분배 계수) | 1.8 (estimated by method of Leo et al, 1971). |
| 냄새 | Stench.계란 썩는 냄새 |
| 밀도 | 0.9987 @ 20 °C/4 °CRelative density (water = 1): 1.01 g/mL at 25 °C (lit.) |
| Color/Form | WATER-WHITE LIQUID |
| 용해도 | INSOLUBLE IN WATERSOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE, BENZENE, IN ORGANIC SOLVENTSSolubility in water: none섞이지 않는 |
| 인화점 | 55 °F (12 °C) |
| 끓는 점 | 121.12 °C @ 760 MM HG119-121 °C119 °C (lit.) |
| 녹는점 | -96.16 °C-96.2 °C-96 °C (lit.) |
| 증기 밀도 | Relative vapor density (air = 1): 3.05 |
| 후각 역치 | 1 part per billion |
| 증기압 | 18 mm Hg ( 25 °C) |
| 굴절률 | n20/D 1.504(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 비중 | 1.002 (20/4℃) |
| 색상 | 무색 내지 거의 무색 |
| pH | 7 (H2O, 20℃) |
| 폭발한계 | 1.1-12.1%(V) |
| 후각 역치 | 0.00062ppm |
| 향취 유형 | 유황의 |
| 용해도 | 섞일 수 없음 |
| 비열 | Cp(gas): 1.05 J/(g·K), at 25℃ |
| Merck | 14,9218 |
| BRN | 102392 |
| 헨리 상수 | 2.2×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| 유전율 | 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(분배 계수) | 1.8 at 20℃ |
| NIST | Thiophene, tetrahydro-(110-01-0) |
| EPA | Tetrahydrothiophene (110-01-0) |
화학적 성질
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 | DangerH225: 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.H225 (88.5%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 규제 정보 | 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/2145Thiophene, tetrahydro-: HSNO Approval: HSR001225 Approved with controlsThe 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.) |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | 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. |
| 화재 가능성 | Flammable liquid |
| 건강 유해성 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | Not an eye irritantWorkers complained of nausea and headaches[HSDB] |
| 운송 번호 및 가이드(DOT) | 2412 130 |
| 반응성 그룹 | Sulfides, Organic |
| EC 분류 | Symbol: F, XnR: 11-20/21/22-36/38-52/53S: (2)-16-23-36/37-61 |
| UN 분류 | UN Hazard Class: 3UN Pack Group: II |
| TSCA 요건 | TSCA 1982 list of chemicals selected for review by ITC |
| Reactivity Alerts | Highly Flammable |
| 소화 | 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. |
| 응급 조치 | 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. |
| 누출 비상 조치 | · 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. |
| 응급 처치 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:General First Aid: |
| 안전 보관 | Fireproof. Separated from strong oxidants. Cool. Store in an area without drain or sewer access. |
| 노출 관리 및 개인 보호 | · Wear positive pressure self-contained breathing apparatus (SCBA).50.0 [ppm] |
| 비화재 누출 대응 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| 처리 방법 | Burn in a chemical incinerator equipped with an afterburner and scrubber but exert care in igniting as this material is highly flammable. |
| 누출 처리 | 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 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:Immediate precautionary measure |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. |
| 환경 거동 | Atmospheric: Expected to rapidly oxidize by hydroxyl radicals in the atmosphere.Terrestrial: Little tendency to sorb to soil. |
| 노출 경로 | The substance can be absorbed into the body by inhalation of its vapour and by ingestion. |
| Signs and Symptoms | Headache. Nausea. Dizziness. Palpitations. |
| Human Toxicity Excerpts | 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 Sources | Possible release from natural gas leaks due to its use as an odorant. |
| Environmental Biodegradation | Microbial metabolism probably involves oxidation of the sulfur and the aliphatic carbons. |
| Environmental Bioconcentration | Because of its low boiling point and low octanol water partition coeficient it should not bioconcentrate. |
| Non-Human Toxicity Excerpts | 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 contactnot 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 reactionnot 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 Data | LC50 (mice) = 27,000 mg/m3/2H |
| Non-Human Toxicity Values | LD50 Rat oral 2,450 mg/kg |
| EPA Provisional Peer-Reviewed Toxicity Values | TetrahydrothiophenePDF DocumentInadequate information to assess carcinogenic potential2007 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XN0370000 |
| 운송 번호(UN) | UN 2412 |
| 독성 | LD50 by inhalation in mice: 26.7 mg/l (Carlucci) |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 11-20/21/22-36/38-52/53 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-23-36/37-61 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2 |
| 기존화학 물질 | KE-33509 |
| 자연 발화 온도 | 202 °C |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 110-01-0(Hazardous Substances Data) |
용도
용도
Tetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.
일반 설명
A 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 및 합성 방법
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.