基本情報
- 標準SMILES
C[Si](C)(C)O- InChIKey
AAPLIUHOKVUFCC-UHFFFAOYSA-N- 分子式
- C3H10OSi
- 平均分子量
- 90.2 g/mol
- 単同位体質量
- 90.05009147
概要
RN given refers to parent cpd
名称と識別子
- 優先名称
- Trimethylsilanol
- IUPAC
- hydroxy(trimethyl)silane
- 現地名
- トリメチルシラノール
- 英語名
- hydroxytrimethylsilane
- 分子式
- C3H10OSi
- 分子量
- 90.2
名称と別名
名称をさらに表示
データベース識別子
- CAS
1066-40-6- PubChem CID
- 66110
- DTXSID
DTXSID7061433- ChEMBL
CHEMBL4238997- UNII
- Z4BIN3300P
- EC Number
- 213-914-1
- Nikkaji
- J555J
物性
構造計算による物性
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 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
- 28.4
実験および物理化学的性質
物理化学的性質
- 融点
- -4.5 °C · -4.5 °C
- 沸点
- 90 ℃/760Torr · 90℃/760Torr
- 比重(密度)
- 0.95 · 0.950
- 蒸気圧
- 19 · 19-55hPa at 25℃
- 屈折率
- 1.3889 · 1.3889
- 闪点
- 4 ° · 4°(39°F)
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 溶解性
- Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 外見
- liquid
- 酸解離定数(Pka)
- 12.67 · 12.67±0.58(Predicted)
- 比重
- 0.8139 · 0.8139
- 色
- Clear, colourless
- 水溶解度
- 水に溶けます (1.00 mg/ml)。
- BRN
- 1361356 · 1361356
- Henry's Law Constant
- 7 · 7.0×10-2 mol/(m3Pa) at 25℃, Xu and Kropscott (2014)
- InChI
- 1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3
- InChIKey
- AAPLIUHOKVUFCC-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)O
- LogP
- 1.19 · 1.19-5.06 at 20-25℃
- NISTの化学物質情報
- Silanol, trimethyl(1066-40-6)
- EPAの化学物質情報
- Silanol, trimethyl- (1066-40-6)
化学的性質
化学的特性Colorless clear liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (5 of 232) of reports.
Danger
H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 232 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: Silanol, trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23873
Silanol, trimethyl-: 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.
Hazards Summary
Reduced spontaneous motor activity, staggering gait, and decreased body weight observed in 28-day oral study of rats at the highest tested dose (640 mg/kg/day); No evidence of mutagenicity; [JECDB] Contains 10-30% hexamethyl disiloxane (CAS# 107-46-0) as an impurity; May cause mild eye irritation; [Wacker Silicones MSDS] See Hexamethyldisiloxane and Dimethylsilane.
Hazard Classes and Categories
Flam. Liq. 2 (97.8%)
Flammable liquids - Category 2
安全と保護具
Protective Action Criteria (PAC)
2.1 [ppm]
23 [ppm]
140 [ppm]
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993BF 3 / PGII
- hs_code
- 29319090
- risk_code
- 11
- 化審法
- 2-589
- hazard_code
- F
- hazard_class
- 3
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
解説C3H10OSi(90.20).(CH3)3SiOH.トリメチルシラノールは,フルオロトリメチルシランをアルカリ加水分解すると得られる.無色の液体.沸点90~100 ℃.d420"0.8112.nD20"1.388.酸で加水分解すると容易にヘキサメチルジシロキサンになる.森北出版「化学辞典(第2版)
説明Trimethylsilanol has strong acidity compared with the corresponding carbon alcohols, can react with tetrahydrolithium aluminum, Si-OH bond can be reduced Si-H bond, can be used as a blocking agent for straight-chain polysiloxanes with hydrophobicity, it is the most important intermediate in the preparation of organosilicon alcohol salts and all kinds of polysiloxanes products including silicone oils, silicone rubbers and silicone resins, etc, and it has a wide range of application prospects.
使用Trimethylsilanol used as a hydrophobic coat on silicate surfaces. Used as an as an antimicrobial agent.
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