기본 정보
- 표준 SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[OH-]- InChIKey
VDZOOKBUILJEDG-UHFFFAOYSA-M- 분자식
- C16H37NO
- 평균 분자량
- 259.47 g/mol
- 단동위원소 질량
- 259.2875148
이름 및 식별자
- 우선 이름
- Tetrabutylammonium Hydroxide
- IUPAC
- tetrabutylazanium hydroxide
- 현지명
- 하이드록시 테트라뷰틸암모늄
- 영어명
- Tetrabutylammonium hydroxide
- 분자식
- C16H37NO
- 분자량
- 259.47
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2052-49-5、65201-77-6- PubChem CID
- 2723671
- DTXSID
DTXSID8062155- ChEMBL
CHEMBL1078154- UNII
- 68I858J9S1
- EC Number
- 218-147-6
물성
구조 계산 물성
- 극성 표면적
- 1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Physical Description
Liquid
55% Aqueous solution: Colorless liquid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 27 · 27-30 °C(lit.)
- 끓는 점
- 100 °C · 100 °C
- 밀도
- 0.995 · 0.995
- 증기 밀도
- 1 · 1 (vs air)
- 증기압
- 2.3 kPa · 2.3 kPa (@ 20°C)
- 굴절률
- 1.4 · 1.4
- 인화점
- 7 °C · 7°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 유기용매와 섞일 수 있음.
- 물리적 상태
- 액체
- Specific Gravity
- 0.8586 · 0.8586
- 색상
- 30 · APHA: ≤30
- 냄새
- 냄새 없는
- 수소이온지수(pH)
- 14 · 14 (20°C in H2O)
- 폭발한계
- 5.5 · 5.5-36.5% (v/v) Methanol)
- 수용성
- 물, 메탄올에 용해됩니다.
- BRN
- 3571228 · 3571228
- 안정성
- 휘발성 물질
- 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℃
- EPA
- 1 · 1-Butanaminium, N,N,N-tributyl-, hydroxide (2052-49-5)
화학적 성질
Aqueous solution.
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
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
Hazard Classes and Categories
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
안전 및 보호
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
독성 정보
규제 정보
Regulatory Information
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
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- BS5425000
- ridadr
- UN 3267 8/PG 2
- HS 번호
- 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
- hazard_code
- C,T,F,Xn
- safety_code
- 7-16-26-36/37/39-45-36/37-62-27
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-34029
- F 고인화성물질
- 9-34
- 위험 참고 사항
- Highly Flammable/Toxic/Corrosive/Air Sensitive/Hygroscopic
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
용도 및 제조
General Manufacturing Information
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
응용 분야
개요TBAH(테트라부틸암모늄하이드록사이드)는 첨단 반도체부터 유기 화학에 이르기까지 다양한 응응 분야에서 사용할 수 있는 강력한 유기 염기입니다. TBAH는 이온 크로마토그래피의 용리제와 제생제로 사용됩니다.
용도테트라 메틸 암모늄 하이드 록 사이드는 유기 염기이며 산업 연구에 폭넓게 사용됩니다. 국내의 수산화 테트라 메틸 암모늄은 주로 실리콘 오일, 실리콘 고무 및 실리콘 수지와 같은 실리콘 제품의 합성에 주요 촉매로 사용됩니다. 복용량은 크지 않지만 제품의 수율과 품질에 큰 영향을 미칩니다. 외국의 테트라 메틸 암모늄 수산화물은 주로 폴리 에스테르 고분자, 직물, 플라스틱 제품, 식품, 가죽, 목재 가공, 전기 도금, 미생물 등에 사용됩니다.
용도Tetrabutylammonium 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.
일반 설명The 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.
제조 방법
Tetrabutylammonium hydroxide was prepared by the ion exchange between gel type strong basic anion exchange resin(OH-) and aqueous solution of tetrabutylammonium bromide.
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