1-Propanethiol, 3-(triethoxysilyl)- (HCID 84658)

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 Å²
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 · 2 件

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

GHS分類

GHS Classification · 5 件

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 · 4 件

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 · 2 件

Rubber Product Manufacturing

1-Propanethiol, 3-(triethoxysilyl)-: ACTIVE

応用分野 · 1 件

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.