(3-メルカプトプロピル)トリエトキシシラン
1-Propanethiol, 3-(triethoxysilyl)-
基本情報
- CAS
14814-09-6- 標準SMILES
CCO[Si](CCCS)(OCC)OCC- InChIKey
DCQBZYNUSLHVJC-UHFFFAOYSA-N- 分子式
- C9H22O3SSi
- 平均分子量
- 238.42 g/mol
- 単同位体質量
- 238.10589209
名称と識別子
- 優先名称
- 1-Propanethiol, 3-(triethoxysilyl)-
- IUPAC
- 3-triethoxysilylpropane-1-thiol
- 現地名
- (3-メルカプトプロピル)トリエトキシシラン
- 英語名
- 3-Mercaptopropyltriethoxysilane
- 分子式
- C9H22O3SSi
- 分子量
- 238.42
名称と別名
14814-09-6(3-Mercaptopropyl)triethoxysilane1-Propanethiol, 3-(triethoxysilyl)-3-(triethoxysilyl)propane-1-thiol3-(Triethoxysilyl)propanethiolTriethoxy(3-mercaptopropyl)silane(gamma-Mercaptopropyl)triethoxysilaneDTXSID70444793-(Triethoxysilyl)propyl mercaptanEINECS 238-883-1Silane, (3-mercaptopropyl)triethoxy-BRN 2039575
名称をさらに表示
(3-メルカプトプロピル)トリエトキシシラン(γ-メルカプトプロピル)トリエトキシシラン3-(トリエトキシシリル)プロパン-1-チオール3-(トリエトキシシリル)-1-プロパンチオール3-(トリエトキシシリル)1-プロパンチオール3-トリエトキシシリル-1-プロパンチオール3-メルカプトプロピルトリエトキシシラントリエトキシ(3-メルカプトプロピル)シラン3-(トリエトキシシリル)プロパンチオールkh590Mercaptosilane OligomerDK547A-1891DKSI182Dynasylan 3201Co-Formula CFS-0963-MercaptopropyltrieSilane coupling agent KH-5803-(triethoxysilyl)-propanethio
Z069RX894NPropanethiol, 3-(triethoxysilyl)-DTXCID5024479EC 238-883-1RefChem:4361973(Triethoxysilyl)propanethiolPropanethiol, 3(triethoxysilyl)Triethoxy(3mercaptopropyl)silane
データベース識別子
- CAS
14814-09-6- PubChem CID
- 84658
- DTXSID
DTXSID7044479- ChEMBL
CHEMBL3188191- UNII
- Z069RX894N
- EC Number
- 238-883-1
- Nikkaji
- J227.201F
物性
構造計算による物性
- 極性表面積
- 28.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 118
実験および物理化学的性質
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
物理化学的性質
- 沸点
- 210 °C · 210 °C
- 比重(密度)
- 0.987 g/mL · 0.987 g/mL at 20 °C (lit.)
- 蒸気圧
- 0 · 0-7910Pa at 25℃
- 屈折率
- 1.4331 · 1.4331
- 闪点
- 88 °C · 88°C
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- 10.39 · 10.39±0.10(Predicted)
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 比重
- 0.932 · 0.932
- 水溶解度
- 水中でゆっくりと加水分解します。
- BRN
- 2039575 · 2039575
- InChI
- 1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
- InChIKey
- DCQBZYNUSLHVJC-UHFFFAOYSA-N
- SMILES
- CCO[Si](CCCS)(OCC)OCC
- LogP
- -1.4 · -1.4-2.7 at 20℃
- CAS データベース
- 14814 · 14814-09-6(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Propanethiol, 3-(triethoxysilyl)- (14814-09-6)
化学的性質
化学的特性Clear to straw liquid with unpleasant odor of sulfide.
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
This chemical does not meet GHS hazard criteria for 20.6% (52 of 253) of reports.
Warning
H315 (23.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Propanethiol, 3-(triethoxysilyl)-
1-Propanethiol, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(triethoxysilyl)- 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: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5391
1-Propanethiol, 3-(triethoxysilyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 3,000 mg/kg; [RTECS] Slowly hydrolyzed by water; A skin and strong eye irritant; [Alfa Aesar MSDS] See (3-Mercaptopropyl)trimethoxysilane.
Hazard Classes and CategoriesSkin Irrit. 2 (23.7%)
安全データ
- F
- 10-13
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ7760000
- ridadr
- UN 3334
- hs_code
- 29309090
- risk_code
- 36/37/38
- 化審法
- (2)-2045
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-36
- packing_group
- III
- Hazard Classifications
- Aquatic Chronic 2
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
UsesUsed as an intermediate, in polymer and tire manufacture, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
1-Propanethiol, 3-(triethoxysilyl)-: ACTIVE
応用分野
使用It can improve the properties of the mineral-filled elastomer, including modulus, tensile and tear strength, heat buildup, abrasion resistance, resilience. It can be used as a pretreatment on minerals or added at the time of compounding. Mineral-reinforced rubbers such as shoe soles, rollers, wheels, white sidewalls, wire and cable insulation are the common case (3-Mercaptopropyl)triethoxysilane, could be used in. It also finds it uses as an intermediate, in polymer and tire manufacture, and as a laboratory reagent.
上流・下流製品情報
上流原料
関連反応
34 件
化合物ノート
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