(3-Mercaptopropyl)trimethoxysilane (HCID 20473)

概要

See also: 1-Propanethiol, 3-(trimethoxysilyl)-, homopolymer (annotation moved to).

名称と識別子

優先名称: (3-Mercaptopropyl)trimethoxysilane
IUPAC: 3-trimethoxysilylpropane-1-thiol
現地名: (3-メルカプトプロピル)トリメトキシシラン
英語名: Trimethoxysilylpropanethiol
分子式: C6H16O3SSi
分子量: 196.34

名称と別名

4420-74-0(3-Mercaptopropyl)trimethoxysilane3-Mercaptopropyltrimethoxysilane3-(Trimethoxysilyl)propanethiol1-Propanethiol, 3-(trimethoxysilyl)-Silquest A 1893-(Trimethoxysilyl)-1-PropanethiolProsil 196Silane A 189(3-Thiopropyl)trimethoxysilaneNUCA 1893-(Sulfanylpropyl)trimethoxysilane

名称をさらに表示

(3-メルカプトプロピル)トリメトキシシラン3-(トリメトキシシリル)プロパン-1-チオール(γ-メルカプトプロピル)トリメトキシシラン3-(トリメトキシシリル)-1-プロパンチオールトリメトキシ(3-メルカプトプロピル)シラン3-メルカプトプロピルトリメトキシシランγ-メルカプトプロピルトリメトキシシラン３（トリメトキシシリル）１プロパンチオル3-(トリメトキシシリル)プロパンチオール(3‐メルカプトプロピル)トリメトキシシランメルカプトプロピルトリメトキシシランMercaptopropyltrimethoxysilaneγ-Mercaptopropyltrimethoxysilanekbm803kbe803Dynasylan MTMOgf70m8500A 189

M 8500 (coupling agent)3-(Trimethoxysilyl)propyl mercaptanA 189 (silicone)KBE 803KBM 803GF 70TSL 8380(gamma-mercaptopropyl)trimethoxysilane

データベース識別子

CAS: 4420-74-0
PubChem CID: 20473
DTXSID: DTXSID2044428
ChEMBL: CHEMBL3185147
UNII: 8CB1M08OIW
EC Number: 224-588-5
Nikkaji: J8.721A

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: 6
重原子数: 11
形式電荷: 0
複雑度: 89.6

実験および物理化学的性質

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

Density1.015 @25 °C

Physical Description · 2 件

Liquid

Colorless liquid with a stench; [Alfa Aesar MSDS]

物理化学的性質

融点: -50 °C · <-50°C
沸点: 213 · 213-215 °C(lit.)
比重(密度): 1.057 g/mL · 1.057 g/mL at 25 °C(lit.)
蒸気圧: 0.2 hPa · 0.2 hPa (20 °C)
屈折率: 20 · n20/D 1.444(lit.)
闪点: 204 °F · 204 °F
貯蔵温度: 2 · 2-8°C
溶解性: メタノール、エタノール、イソプロパノール、アセトン、ベンゼン、トルエン、キシレンと混和します。
酸解離定数(Pka): 10.47 · 10.47±0.10(Predicted)
外見: 液体
色: 無色透明～薄黄色
比重: 1.04 · 1.04
臭い (Odor): Slightly mercaptan odor
水溶解度: 分解する
BRN: 2038119 · 2038119
安定性: 安定していますが、湿気に敏感で、湿った空気にさらされると分解することがあります。水、アルコール、強力な酸化剤、強酸とは相容れない。
化粧品成分の機能: 爪のコンディショニング
InChI: 1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKey: UUEWCQRISZBELL-UHFFFAOYSA-N
SMILES: CO[Si](CCCS)(OC)OC
LogP: -1.4 · -1.4-1.7 at 20℃
CAS データベース: 4420 · 4420-74-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Propanethiol, 3-(trimethoxysilyl)-(4420-74-0)
EPAの化学物質情報: 1 · 1-Propanethiol, 3-(trimethoxysilyl)- (4420-74-0)

化学的性質

化学的特性Water white to light straw liquid clear liquid with an unpleasant odour of sulphide.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4.4% (21 of 481) of reports.

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 481 reports by companies from 17 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-(trimethoxysilyl)-

1-Propanethiol, 3-(trimethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(trimethoxysilyl)- 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: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23529

3-(Trimethoxysilyl)-1-propanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryA mild skin irritant; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Chloropropyltrimethoxysilane.

Hazard Classes and CategoriesAcute Tox. 4 (94%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

2.2 [mg/m3]

24 [mg/m3]

150 [mg/m3]

安全データ

F: 1-10-13
wgk: 2
tsca: TSCA listed
rtecs: TZ7800000
ridadr: UN 3082 9/PG 3
毒性: LD50 orally in Rabbit: 774 mg/kg LD50 dermal Rabbit 2268 mg/kg
hs_code: 29310095
risk_code: 22-43-51/53
化審法: (2)-2045
消防法: 危-4-3-III
hazard_code: Xn,N
safety_code: 24/25-36/37-61-57-37-24
hazard_class: 9
packing_group: III
自然発火温度: 235 °C
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as a coupling agent in polysulfide and polyurethane caulks and sealants; [REPROTOX]

U.S. Production2023: 75,000 - <100,000 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2 件

Rubber Product Manufacturing

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

応用分野 · 2 件

使用(3-Mercaptopropyl)trimethoxysilane is used as a capping molecule for cadmium sulphide nanocrystals. It is used in the preparation of multi-walled carbon nanotubes and bilayer modified gold electrode. It acts as a linker molecule used in the preparation of gold multilayers and as a molecular adhesive in the fabrication of vapor-deposited gold electrodes on glass substrates. It is also used as a precursor for silica.

一般的な説明(3-mercaptopropyl)trimethoxysilane (MPTMS) is an organosilane with a thiol group, which can be used as a self-assembled monolayer (SAM). It can be used as a conjunction reagent to immobilize a variety of nanoparticles.

調製方法

製造方法(3-Mercaptopropyl)trimethoxysilane was prepared by using thiourea and 3-chloropropyltrimethoxysilane as raw materials, petroleum ether as solvent, KI as catalyst, and ethylenediamine as neutraliser.