ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

テトラヒドロチオフェン

Tetrahydrothiophene

HCID 1127
ノートを作成反応を作成見積依頼を出す
印刷プレビュー

データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます

基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
110-01-0
標準SMILES
C1CCSC1
InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N
分子式
C4H8S
平均分子量
88.17 g/mol
単同位体質量
88.03467126

概要

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.

名称と識別子

優先名称
Tetrahydrothiophene
IUPAC
thiolane
現地名
テトラヒドロチオフェン
英語名
Tetrahydrothiophene
分子式
C4H8S
分子量
88.17

名称と別名

tetrahydrothiopheneThiolane110-01-0ThiophaneThiophene, tetrahydro-ThiacyclopentaneTetramethylene sulfideThilaneTetrahydrothiophenTetramethylenesulfideThiofanPennodorant 1013
名称をさらに表示
テトラヒドロチオフェンヤガミンF硫化テトラメチレンチオランチランチアシクロペンタンチオファンテトラメチレンスルフィドテトラヒドロチオフェン, 98%THTTETRAHYDROTHIOPHEN 99%(GC)THIOLANTetrahydrothiophene (THT)
TetrahydrothiofenPennodorant 1073DTXSID3047760744EHT13FMNSC-5272DTXCID8027743CHEBI:48458THT, thiophene

データベース識別子

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

物性

構造計算による物性補完中

XLogP
1.4
極性表面積
25.3 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
5
形式電荷
0
複雑度
22.8

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Thiophenes

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
LogP · 2 件

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

1.8

OdorStench.
Density · 2 件

0.9987 @ 20 °C/4 °C

Relative density (water = 1): 1.0

Color/FormWATER-WHITE LIQUID
Solubility · 2 件

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

Solubility in water: none

Flash Point · 2 件

55 °F (12 °C)

12 °C

Boiling Point · 2 件

121.12 °C @ 760 MM HG

119-121 °C

Melting Point · 2 件

-96.16 °C

-96.2 °C

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 6 件

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 · 3 件

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

化学と産業

薬理情報

Metabolism/MetabolitesIdentified as a human metabolite of asparagus.

用途と製造

Uses · 6 件

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 · 2 件

2023: 75,000 - <500,000 lb

200,000 to 2,000,000 lb

Consumer UsesFragrance
Industry UsesFragrance
Methods of Manufacturing · 2 件

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 · 3 件

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.

応用分野 · 3 件

関連反応

75 件
反応記録を作成
HRID 24964 の反応式
HRID 24964反応物としてuspto-grants-2005_02
HRID 24968 の反応式
HRID 24968反応物としてuspto-grants-2005_02
HRID 43294 の反応式
HRID 43294反応物としてuspto-grants-2013_09
HRID 99195 の反応式
HRID 99195反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 138127 の反応式
HRID 138127反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 163357 の反応式
HRID 163357反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 168547 の反応式
HRID 168547反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 225403 の反応式
HRID 225403反応物としてuspto-grants-2009_07
1 / 10 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Vapor Density
Relative vapor density (air = 1): 3.05
Odor Threshold1 part per billion

物理化学的性質

融点
-96 °C · -96 °C (lit.)
沸点
119 °C · 119 °C (lit.)
比重(密度)
1 g/mL · 1 g/mL at 25 °C (lit.)
蒸気圧
18 mm · 18 mm Hg ( 25 °C)
屈折率
20 · n20/D 1.504(lit.)
闪点
55 °F · 55 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
混和しない
外見
液体
比重
1.002 · 1.002 (20/4℃)
色
Colorless to Almost colorless
臭い (Odor)
腐った卵の匂い
PH
7 · 7 (H2O, 20℃)
爆発限界(explosive limit)
1.1 · 1.1-12.1%(V)
臭気閾値(Odor Threshold)
0.00062 ppm · 0.00062ppm
においのタイプ
硫黄の
水溶解度
混和しない
比熱容量
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
安定性
非常に可燃性です。蒸気と空気の混合物の特定の割合で爆発性; 低い引火点と爆発限界範囲に注意してください。空気より重い爆発性の混合物は、発火源までかなりの距離を移動する可能性があります。
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 データベース
110 · 110-01-0(CAS DataBase Reference)
NISTの化学物質情報
Thiophene, tetrahydro-(110-01-0)
EPAの化学物質情報
Tetrahydrothiophene (110-01-0)
化学的性質 · 1 件

化学的特性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 · 2 件

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

安全と保護具

Fire Fighting · 2 件

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 · 4 件

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 · 2 件

· 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 · 2 件

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 · 2 件

· 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 · 1 件

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 · 2 件

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.

毒性情報

Environmental Fate · 2 件

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 · 2 件

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 · 3 件

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 · 4 件

Tetrahydrothiophene

PDF Document

Inadequate information to assess carcinogenic potential

2007

法規制情報

TSCA RequirementsTSCA 1982 list of chemicals selected for review by ITC

安全データ

wgk
2
tsca
TSCA listed
rtecs
XN0370000
ridadr
UN 2412
毒性
LD50 by inhalation in mice: 26.7 mg/l (Carlucci)
hs_code
29349990
risk_code
11-20/21/22-36/38-52/53
化審法
(5)-75
消防法
危-4-1-II
hazard_code
F,Xn
safety_code
16-23-36/37-61
hazard_class
3
packing_group
II
自然発火温度
202 °C
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2
ストレージクラス
3 - Flammable liquids
有毒物質データの
110-01-0(Hazardous Substances Data)

用途忌避剤、天然ガスの着臭剤

使用Tetrahydrothiophene is used as pharmaceutical and agrochemical intermediates.

一般的な説明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.

調製方法 · 2 件

製造方法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.

純化方法The crude material is purified by crystallisation of the mercuric chloride complex to a constant melting point. It is then regenerated, washed, dried, and fractionally distilled. [Whitehead et al. J Am Chem Soc 73 3632 1951.] It has been dried over Na2SO4 and distilled in a vacuum [Roberts & Friend J Am Chem Soc 108 7204 1986]. [Beilstein 17 I 5, 17 II 15, 17 III/IV 34, 17/1 V 36.]

上流・下流製品情報

上流原料

テトラヒドロフランThiophene(SIV) (9CI)

下流製品

2,3-ジヒドロチオフェン4-クロロブタン-1-スルホン酸クロリド2-アミノ-5-クロロベンゼンスルホン酸チオフェン, 1,1,2,3,4,5-ヘキサヒドロ-1-イミノ-, 1-オキシド1,4-ジアミノ-5-ニトロ-9,10-アントラセンジオン4-メチルアミノ-3-ニトロベンゾフェノン