基本信息
- 标准SMILES
C1CCSC1- InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N- 分子式
- C4H8S
- 平均分子量
- 88.17 g/mol
- 单同位素质量
- 88.03467126
概述
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.
名称与标识
- 首选名称
- Tetrahydrothiophene
- IUPAC
- thiolane
- 中文名
- 四氢噻吩
- 英文名
- Tetrahydrothiophene
- 分子式
- C4H8S
- 分子量
- 88.17
名称与别名
展开更多名称
数据库标识
- CAS
110-01-0- PubChem CID
- 1127
- DTXSID
DTXSID3047760- ChEMBL
CHEMBL1379- ChEBI
CHEBI:48458- UNII
- 744EHT13FM
- EC Number
- 203-728-9
- Nikkaji
- J2.444I
性质
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 25.3 Ų
- 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
实验与物化性质
Chemical Classes
Other Classes -> Thiophenes
Flammable agents - 3rd degree
LogP
1.8 (estimated by method of Leo et al, 1971).
1.8
Density
0.9987 @ 20 °C/4 °C
Relative density (water = 1): 1.0
Solubility
INSOLUBLE IN WATER; SOL IN ALL PROPORTIONS IN ALCOHOL, ETHER, ACETONE, BENZENE, IN ORGANIC SOLVENTS
Solubility in water: none
Flash Point
55 °F (12 °C)
12 °C
Boiling Point
121.12 °C @ 760 MM HG
119-121 °C
Melting Point
-96.16 °C
-96.2 °C
物理化学性质
- 熔点
- -96 °C · -96 °C (lit.)
- 沸点
- 119 °C · 119 °C (lit.)
- 密度
- 1 g/mL · 1 g/mL at 25 °C (lit.)
- 蒸气压
- 18 mm · 18 mm Hg ( 25 °C)
- 折射率
- 20 · n20/D 1.504(lit.)
- 闪点
- 55 °F · 55 °F
- 储存条件
- 30 °C · Store below +30°C.
- 溶解度
- immiscible
- 形态
- liquid
- 颜色
- Colorless to Almost colorless
- 比重
- 1.002 · 1.002 (20/4℃)
- PH值
- 7 · 7 (H2O, 20℃)
- 气味 (Odor)
- Smells of rotting eggs
- 嗅觉阈值(Odor Threshold)
- 0.00062 ppm · 0.00062ppm
- 香型
- sulfurous
- 爆炸极限值(explosive limit)
- 1.1 · 1.1-12.1%(V)
- 水溶解性
- immiscible
- 比热容
- 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)
- 介电常数
- 8.61 · 8.6099999999999994
- 稳定性
- 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 数据库
- 110 · 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
GHS Classification
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]
危害信息
Regulatory Information
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.)
Fire Hazards
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.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
安全与防护
Fire Fighting
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
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
· 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
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
50.0 [ppm]
Spillage Disposal
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
毒理信息
Environmental Fate
Atmospheric: Expected to rapidly oxidize by hydroxyl radicals in the atmosphere.
Terrestrial: Little tendency to sorb to soil.
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.
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 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.
EPA Provisional Peer-Reviewed Toxicity Values
Tetrahydrothiophene
PDF Document
Inadequate information to assess carcinogenic potential
2007
法规信息
安全数据
- wgk
- 2
- tsca
- TSCA listed
- 毒性
- LD50 by inhalation in mice: 26.7 mg/l (Carlucci)
- RTECS号
- XN0370000
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-23-36/37-61
- 海关编码
- 29349990
- 自燃温度
- 202 °C
- 危险品标志
- F,Xn
- 危险性类别
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
- 危险类别码
- 11-20/21/22-36/38-52/53
- 毒害物质数据
- 110-01-0(Hazardous Substances Data)
- 危险品运输编号
- UN 2412
毒性防护
急性毒性吸入- 小鼠 27000 毫克/ 立方米/ 2 小时
包装储运
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
化学与工业
药理信息
用途与制造
Uses
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
2023: 75,000 - <500,000 lb
200,000 to 2,000,000 lb
Methods of Manufacturing
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
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.
应用领域
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
上下游产品信息
上游原料
下游产品
试剂价格
- T0114 · 25ML
- 四氢噻吩Tetrahydrothiophene — 60元
- T0114 · 500ML
- 四氢噻吩Tetrahydrothiophene — 350元
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