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四氢噻吩
噻吩烷 · 加臭剂 · 四氟噻吩 · 四甲撑硫 · 四氫塞酚 · 四氫噻吩 · 四氢噻吩 · 四氢硫杂茂
标识与物理属性
| CAS No. | 110-01-0 |
|---|---|
| 分子式 | C4H8S |
| 平均分子量 | 88.17 g/mol |
| 单同位素质量 | 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 |
| 中文名 | 四氢噻吩 |
化学与物理性质
| XLogP | 1.4 |
|---|---|
| 极性表面积 | 25.3 |
| 氢键供体 | 0 |
| 氢键受体 | 1 |
| 可旋转键 | 0 |
| 重原子 | 5 |
| 形式电荷 | 0 |
| 复杂度 | 22.8 |
| 物质类别 | Other Classes -> ThiophenesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（油水分配系数） | 1.8 (estimated by method of Leo et al, 1971). |
| 气味 | Stench.Smells of rotting eggs |
| 密度 | 0.9987 @ 20 °C/4 °CRelative density (water = 1): 1.01 g/mL at 25 °C (lit.) |
| Color/Form | WATER-WHITE LIQUID |
| 溶解性 | INSOLUBLE IN WATERSOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE, BENZENE, IN ORGANIC SOLVENTSSolubility in water: noneimmiscible |
| 闪点 | 55 °F (12 °C) |
| 沸点 | 121.12 °C @ 760 MM HG119-121 °C119 °C (lit.) |
| 熔点 | -96.16 °C-96.2 °C-96 °C (lit.) |
| 蒸气密度 | Relative vapor density (air = 1): 3.05 |
| 嗅觉阈值 | 1 part per billion |
| 蒸气压 | 18 mm Hg ( 25 °C) |
| 折射率 | n20/D 1.504(lit.) |
| 储存条件 | Store below +30°C. |
| 形态 | liquid |
| 颜色 | Colorless to Almost colorless |
| 比重 | 1.002 (20/4℃) |
| pH | 7 (H2O, 20℃) |
| 嗅觉阈值 | 0.00062ppm |
| 香型 | sulfurous |
| 爆炸极限 | 1.1-12.1%(V) |
| 比热容 | Cp(gas): 1.05 J/(g·K), at 25℃ |
| Merck | 14,9218 |
| BRN | 102392 |
| 亨利常数 | 2.2×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| 介电常数 | 8.6099999999999994 |
| 稳定性 | Highly flammable. Vapour-air mixtures explosive in some proportionsnote 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（油水分配系数） | 1.8 at 20℃ |
| CAS 数据库 | 110-01-0(CAS DataBase Reference) |
| NIST化学物质信息 | Thiophene, tetrahydro-(110-01-0) |
| EPA化学物质信息 | Tetrahydrothiophene (110-01-0) |
安全与法规
| GHS 分类 | 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] |
|---|---|
| 法规信息 | 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.) |
| 运输标签（DOT） | Flammable Liquid |
| 火灾危害 | 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. |
| 火灾可能性 | Flammable liquid |
| 健康危害 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 危害概述 | Not an eye irritantWorkers complained of nausea and headaches[HSDB] |
| 运输编号与指南（DOT） | 2412 130 |
| 反应性基团 | Sulfides, Organic |
| 欧共体分类 | Symbol: F, XnR: 11-20/21/22-36/38-52/53S: (2)-16-23-36/37-61 |
| 联合国分类 | UN Hazard Class: 3UN Pack Group: II |
| TSCA 要求 | TSCA 1982 list of chemicals selected for review by ITC |
| Reactivity Alerts | Highly Flammable |
| 消防 | 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. |
| 急救措施 | 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. |
| 泄漏应急措施 | · 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. |
| 急救 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:General First Aid: |
| 安全储存 | Fireproof. Separated from strong oxidants. Cool. Store in an area without drain or sewer access. |
| 暴露控制与个人防护 | · Wear positive pressure self-contained breathing apparatus (SCBA).50.0 [ppm] |
| 非火灾泄漏应对 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: |
| 处置方法 | Burn in a chemical incinerator equipped with an afterburner and scrubber but exert care in igniting as this material is highly flammable. |
| 泄漏处置 | 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. |
| 环境归趋 | Atmospheric: Expected to rapidly oxidize by hydroxyl radicals in the atmosphere.Terrestrial: Little tendency to sorb to soil. |
| 暴露途径 | 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 |
| 水危害等级（WGK） | 2 |
| TSCA 清单状态 | TSCA listed |
| 毒性 | LD50 by inhalation in mice: 26.7 mg/l (Carlucci) |
| RTECS 号 | XN0370000 |
| 包装类别 | II |
| 危险类别 | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2 |
| 储存类别 | 3 - Flammable liquids |
| 安全说明（S） | 16-23-36/37-61 |
| 海关编码 | 29349990 |
| 自燃温度 | 202 °C |
| 危险品标志 | F,Xn |
| 危险类别码（R） | 11-20/21/22-36/38-52/53 |
| 毒害物质数据 | 110-01-0(Hazardous Substances Data) |
| 运输编号（UN） | UN 2412 |
急性毒性
吸入- 小鼠 27000 毫克/ 立方米/ 2 小时
可燃性危险特性
遇明火、高温、氧化剂易燃; 燃烧产生有毒硫氧化物烟雾
储运特性
库房通风低温干燥; 与氧化剂、酸类分开存放
灭火剂
干粉、干砂、二氧化碳、泡沫
用途与应用
概述
四氢噻吩(简称THT)又称硫杂环戊烷、四甲撑硫、硫化伸丁基、四氢硫杂茂，是噻吩经催化氢化后得到一种含硫饱和杂环化合物，噻吩被还原为四氢噻吩后，不再具有共轭体系和芳香性，因此四氢噻吩显示出一般硫醚的性质，易于氧化为亚砜和砜（环丁砜）。 四氢噻吩是无色透明有挥发性的液体，不溶于水，可混溶于乙醇、乙醚、苯、丙酮。具有强烈的不愉快气味，它产生的臭味稳定、不易散发，空气中存在0.01PPm就能闻到，对煤气设备、运输管道垫片等材质没有腐蚀性，对人体嗅觉不会产生习惯钝化，因此用作城市煤气、天然气等气体燃料的泄露警告剂，被少量加到气体燃料中，取缔了原来使用的乙硫醇等赋臭剂。目前国内市场所需四氢噻吩为400吨/年左右，主要依靠进口。四氢噻吩具有麻醉作用。小鼠吸入中毒时，出现运动性兴奋、共济失调、麻醉，最后死亡。慢性中毒实验中，小鼠表现为行为异常、体重增长停顿及肝功能改变。此外也用作医药、农药以及有机合成原料等。
用途
用作城市煤气、石油液化气、天然液化气等燃料气体的加臭剂，也可用作医药和农药原料