Benzyltrimethylammonium hydroxide (HCID 66854)

名称と識別子

優先名称: Benzyltrimethylammonium hydroxide
IUPAC: benzyl(trimethyl)azanium hydroxide
現地名: ベンジルトリメチルアンモニウムヒドロキシド (40%メタノール溶液)
英語名: Benzyltrimethylammonium hydroxide
分子式: C10H17NO
分子量: 167.25

名称と別名

Benzyltrimethylammonium hydroxide100-85-6Triton BTrimethylbenzylammonium hydroxideBenzyl trimethyl ammonium hydroxideSumquat 2311Trimethyl benzylammonium hydroxideBenzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1)Benzyltrimetylammonium hydroxideN,N,N-Trimethylbenzenemethanaminium hydroxideDTXSID3044332Ammonium, benzyltrimethyl-, hydroxide

名称をさらに表示

ベンジルトリメチルアンモニウムヒドロキシド (10% 水溶液)ベンジルトリメチルアンモニウムヒドロキシド (40% 水溶液)ベンジルトリメチルアンモニウムヒドロキシド (10%水溶液)ベンジルトリメチルアンモニウムヒドロキシド (40%メタノール溶液)ベンジルトリメチルアンモニウムヒドロキシド (40%水溶液)ベンジルトリメチルアンモニウム·ヒドロキシドトリメチルベンジルアンモニウムヒドロキシドN,N,N-トリメチルベンゼンメタンアミニウム·ヒドロキシドベンジルトリメチルアンモニウムヒドロキシドベンジルトリメチルアミニウム·ヒドロキシドトリトンBベンジルトリメチルアンモニウムヒドロキサイド水酸化ベンジルトリメチルアンモニウムベンジルトリメチルアンモニウムヒドロキシド水酸化トリメチルベンジルアンモニウムメタノール溶液水酸化トリメチルベンジルアンモニウム溶液水酸化ベンジルトリメチルアンモニウムメタノール溶液水酸化ベンジルトリメチルアンモニウム溶液水酸化トリメチルベンジルアンモニウムベンジルトリメチルアンモニウムヒドロキシド（40％メタノール溶液）ベンジルトリメチルアンモニウムヒドロキシド（40％水溶液）N-benzyl-trimethylammonium hydroxideBenzyltrimethylammonium hydroxide solutionTRITON(R) Bbenzyltrimethyl-ammoniuhydroxidesumquat2311Triton(rg BPhCH2NMe3(OH)

Benzenemethanaminium, N,N,N-trimethyl-, hydroxideNSC-261034BTMAH 408P4488425WDTXCID1024332RefChem:119016202-895-5N,N,N-Trimethyl-1-phenylmethanaminium hydroxide

データベース識別子

CAS: 100-85-6
PubChem CID: 66854
DTXSID: DTXSID3044332
ChEMBL: CHEMBL3188269
UNII: 8P4488425W
EC Number: 202-895-5

物性

構造計算による物性

極性表面積: 1 Å²
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: 2
重原子数: 12
形式電荷: 0
複雑度: 107

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Physical Description · 2 件

Liquid

Clear to light yellow liquid with an amine odor; Miscible in water; [MSDSonline]

物理化学的性質

融点: 80 °C · 80 °C
沸点: 65 °C · 65°C
比重(密度): 1.059 g/mL · 1.059 g/mL at 25 °C
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 20 · n20/D 1.43
闪点: 60 °F · 60 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: アルコール、炭化水素、芳香族炭化水素、ハロゲン系溶剤と混和します。
外見: 解決
色: やや黄色く澄んでいる
PH: 12 · 12 (20°C in H2O, undiluted)
爆発限界(explosive limit): 5.5 · 5.50-36.50%
水溶解度: 水、炭化水素、芳香族炭化水素、ハロゲン系溶剤と混和します。
BRN: 3917256 · 3917256
InChI: 1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
InChIKey: NDKBVBUGCNGSJJ-UHFFFAOYSA-M
SMILES: [OH-].C[N+](C)(C)Cc1ccccc1
LogP: -3 at · -3 at 20℃
CAS データベース: 100 · 100-85-6(CAS DataBase Reference)
EPAの化学物質情報: Benzyltrimethylammonium hydroxide (100-85-6)

化学的性質

化学的特性CLEAR SLIGHTLY YELLOW SOLUTION

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.3% (1 of 325) of reports.

Danger

H224 (12.6%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 325 reports by companies from 11 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: Benzenemethanaminium, N,N,N-trimethyl-, hydroxide

Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1) 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/29507

Benzyltrimethylammonium hydroxide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 1 (12.6%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 9-23
wgk: 1
tsca: TSCA listed
rtecs: BO8575000
ridadr: UN 3267 8/PG 2
毒性: LDLo scu-mus: 35 mg/kg JPETAB 28,367,26
hs_code: 29239000
risk_code: 34-39/23/24/25-23/24/25-11
化審法: (3)-2694, (9)-929
安衛法: 有機則第二種有機溶剤等
消防法: 危-4-1-II
hazard_code: C,T,F
safety_code: 26-36/37/39-45-46-16-28A-7
hazard_class: 8
packing_group: II
自然発火温度: 455°C
Hazard Classifications: Eye Dam. 1Skin Corr. 1A
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

用途と製造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

Wholesale and Retail Trade

Benzenemethanaminium, N,N,N-trimethyl-, hydroxide (1:1): ACTIVE

応用分野 · 1 件

使用Benzyltrimethylammonium hydroxide is used as a phase-transfer catalyst. It is also used in aldol condensation reactions and base-catalyzed dehydration reactions. Further, it serves as a strong organic base and used in Horner-Wadsworth-Emmons olefination reactions. In addition, it is an active component in the formulation, which is used in silicon wafer cleaning applications.

調製方法 · 1 件

純化方法A 38% solution (as supplied) is decolorized (charcoal), then evaporated under reduced pressure to a syrup, with final drying at 75o/1mm pressure. The anhydrous base is obtained by prolonged drying over P2O5 in a vacuum desiccator. [Beilstein 12 IV 2162.]