CAS 2052-49-5 Tetrabutylammonium Hydroxide (HCID 2723671)

名称と識別子

優先名称: Tetrabutylammonium Hydroxide
IUPAC: tetrabutylazanium hydroxide
現地名: テトラブチルアンモニウムヒドロキシド
英語名: Tetrabutylammonium hydroxide
分子式: C16H37NO
分子量: 259.47

名称と別名

Tetrabutylammonium hydroxide2052-49-51-Butanaminium, N,N,N-tributyl-, hydroxide1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1)68I858J9S1DTXSID8062155RefChem:188411DTXCID1036337218-147-6Tetra-n-butylammonium hydroxidetetrabutylazanium;hydroxidetetrabutyl ammonium hydroxide

名称をさらに表示

テトラブチルアンモニウムヒドロキシド (10%イソプロピルアルコール溶液)テトラブチルアンモニウムヒドロキシド (10%メタノール溶液)テトラブチルアンモニウムヒドロキシド (10%メタノール溶液) (非水滴定用)テトラブチルアンモニウムヒドロキシド (10%水溶液)テトラブチルアンモニウムヒドロキシド (10%水溶液) [イオン対試薬]テトラブチルアンモニウムヒドロキシド (37%メタノール溶液)テトラブチルアンモニウムヒドロキシド (40%水溶液)テトラブチルアンモニウム·ヒドロキシドテトラブチルアンモニウムヒドロキシドN,N,N-トリブチル-1-ブタンアミニウム·ヒドロキシドテトラブチルアミニウム·ヒドロキシドN,N,N-トリブチルブタン-1-アミニウム·ヒドロキシドテトラ-n-ブチルアンモニウムヒドロキサイド水酸化テトラブチルアンモニウム水酸化テトラ-N-ブチルアンモニウム溶液水酸化テトラブチルアンモニウム溶液1MOL/L水酸化テトラブチルアンモニウムメタノール溶液テトラ-n-ブチルアンモニウムヒドロキシド(10％メタノール溶液)テトラ-n-ブチルアンモニウムヒドロキシド(10％水溶液)テトラブチルアンモニウムヒドロキシド (10%メタノール溶液) [非水滴定用]TBAHTBAOHTBHTBAOxn-Bu4NOHaqueoussolutionTetrabutylammonium Hydroxide (10% in Water)Tetrabutylammonium Hydroxide (37% in Methanol)Tetrabutylammonium hydroxide 40% methanol solution

tetrabutyl-ammonium hydroxideMFCD00009425tetra-n-butyl ammonium hydroxideTetrabutylammonium Hydroxide (~50% in water)tetrabutylazanium hydroxideTetrabutylammoniumhydroxideAmmonium, tetrabutyl-, hydroxideTetrabutylammonium Hydroxide (1.0M in Methanol)

データベース識別子

CAS: 2052-49-5、65201-77-6
PubChem CID: 2723671
DTXSID: DTXSID8062155
ChEMBL: CHEMBL1078154
UNII: 68I858J9S1
EC Number: 218-147-6

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: 12
重原子数: 18
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Density0.968 @25 °C

Physical Description · 2 件

Liquid

55% Aqueous solution: Colorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: 27 · 27-30 °C(lit.)
沸点: 100 °C · 100 °C
比重(密度): 0.995 · 0.995
蒸気密度: 1 · 1 (vs air)
蒸気圧: 2.3 kPa · 2.3 kPa (@ 20°C)
屈折率: 1.4 · 1.4
闪点: 7 °C · 7°C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 有機溶剤と混和します。
外見: 解決
比重: 0.8586 · 0.8586
色: 30 · APHA: ≤30
臭い (Odor): 無臭
PH: 14 · 14 (20°C in H2O)
爆発限界(explosive limit): 5.5 · 5.5-36.5% (v/v) Methanol)
水溶解度: 水、メタノールに可溶。
BRN: 3571228 · 3571228
安定性: Volatile
InChI: 1S/C16H36N.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
InChIKey: VDZOOKBUILJEDG-UHFFFAOYSA-M
SMILES: [OH-].CCCC[N+](CCCC)(CCCC)CCCC
LogP: 1.517 at · 1.517 at 25℃
CAS データベース: 2052 · 2052-49-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Butanaminium, N,N,N-tributyl-, hydroxide (2052-49-5)

化学的性質

化学的特性Aqueous solution.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 11.5% (43 of 373) of reports.

Danger

H226 (51.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (52%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (88.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (52.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 373 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 43 of 373 reports by companies.；There are 13 notifications provided by 330 of 373 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Butanaminium, N,N,N-tributyl-, hydroxide

1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanaminium, N,N,N-tributyl-, 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: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19067

1-Butanaminium, N,N,N-tributyl-, hydroxide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1-Butanaminium, N,N,N-tributyl-, hydroxide: Human health tier II assessment

Hazards Summary55% Aqueous solution: Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 件

Flam. Liq. 3 (51.7%)；Acute Tox. 4 (52%)；Skin Corr. 1B (88.2%)；Eye Dam. 1 (52.8%)

Acute toxicity (ingestion) - category 4；Acute toxicity (dermal) - category 4；Skin corrosion - category 1

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 4 件

Chemical: 1-Butanaminium, N,N,N-tributyl-, hydroxide

1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanaminium, N,N,N-tributyl-, 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: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19067

1-Butanaminium, N,N,N-tributyl-, hydroxide: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 9-34
wgk: 1
tsca: TSCA listed
rtecs: BS5425000
ridadr: UN 3267 8/PG 2
hs_code: 29239000
risk_code: 34-36/38-23/24/25-11-67-39/23/24/25-36-65-63-38-48/20-35-20/21/22-10-68/20/21/22
化審法: (2)-186
安衛法: 有機則第二種有機溶剤等
消防法: 危険物第4類第一石油類(水溶性)
hazard_code: C,T,F,Xn
hazard_note: Highly Flammable/Toxic/Corrosive/Air Sensitive/Hygroscopic
safety_code: 7-16-26-36/37/39-45-36/37-62-27
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1
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 · 1 件

Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.

用途と製造

U.S. Production2023: 550,000 - <700,000 lb；2022: 400,000 - <550,000 lb；2021: 550,000 - <700,000 lb；2020: 400,000 - <550,000 lb

Industry UsesChemical reaction regulator；Plating agent；Catalyst；Not Known or Reasonably Ascertainable；Laboratory chemicals；Drier；Intermediate

General Manufacturing Information · 2 件

Computer and Electronic Product Manufacturing；Synthetic Rubber Manufacturing；Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing；Pharmaceutical and Medicine Manufacturing；All Other Basic Organic Chemical Manufacturing；Miscellaneous Manufacturing；All Other Chemical Product and Preparation Manufacturing；Photographic Film, Paper, Plate, and Chemical Manufacturing；Not Known or Reasonably Ascertainable

1-Butanaminium, N,N,N-tributyl-, hydroxide (1:1): ACTIVE

応用分野 · 6 件

解説物質が水に溶けているときこれを水溶液という．物質は溶質，水は溶媒である．

用途有機合成、触媒。

用途イオンペア液体クロマトグラフ用としての正イオン剤。

用途非水滴定における塩基性標準液の調製原液。

使用Tetrabutylammonium hydroxide(TBAOH) is a quaternary ammonium salt mainly used as a strong base and phase-transfer catalyst. TBAOH may be used as an ion-pairing reagent in mobile phase preparation for reverse phase ion-pair high performance liquid chromatography during chromium (III) and chromium (VI) determination.

一般的な説明The product is 54.0-56.0% solution of tetrabutylammonium hydroxide in H2O. Tetrabutylammonium hydroxide has been synthesized from tetrabutylammonium iodide. TBAOH dissolved in anhydrous isopropyl alcohol is widely employed as titrant for weak acids.

調製方法

製造方法Tetrabutylammonium hydroxide was prepared by the ion exchange between gel type strong basic anion exchange resin(OH-) and aqueous solution of tetrabutylammonium bromide.