기본 정보
- CAS
1119-94-4- 표준 SMILES
CCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
XJWSAJYUBXQQDR-UHFFFAOYSA-M- 분자식
- C15H34N.Br
- 평균 분자량
- 308.34 g/mol
개요
Dodecyltrimethylammonium bromide is a bromide salt and a quaternary ammonium salt. It has a role as a surfactant. It contains a dodecyltrimethylammonium ion.
이름 및 식별자
- 우선 이름
- Dodecyltrimethylammonium bromide
- IUPAC
- dodecyl(trimethyl)azanium bromide
- 현지명
- 도데킬트리메틸암모늄 브롬화물
- 영어명
- Dodecyltrimethylammonium Bromide
- 분자식
- C15H34BrN
- 분자량
- 308.34
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1119-94-4- PubChem CID
- 14249
- DTXSID
DTXSID5044366- ChEMBL
CHEMBL109873- ChEBI
CHEBI:282662- UNII
- 6IC8NZ97S2
- EC Number
- 214-290-3
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Laurtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic; Preservative
Physical Description
Dry Powder
White to light yellow odorless powder; Hygroscopic; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 246 °C · 246 °C (dec.)(lit.)
- 밀도
- 1.1566 · 1.1566 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 20℃
- 굴절률
- 1.526 · 1.5260 (estimate)
- 인화점
- 246 °C · 246°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 0.1 M at 20 °C, 투명, 무색
- 물리적 상태
- 가루
- 색상
- 흰색에서 약간 노란색
- 생물학적 소스
- synthetic (oragnic)
- 수용성
- 녹는
- BRN
- 3597463 · 3597463
- 주요 응용
- 미생물학
- 화장품 원료 기능
- 헤어 컨디셔닝항균 방부제
- InChI
- 1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
- InChIKey
- XJWSAJYUBXQQDR-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCCCC[N+](C)(C)C
- EPA
- 1 · 1-Dodecanaminium, N,N,N-trimethyl-, bromide (1119-94-4)
화학적 성질
white to slightly yellow powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (2 of 89) of reports.
Danger
H301 (20.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1-Dodecanaminium, N,N,N-trimethyl-, bromide
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanaminium, N,N,N-trimethyl-, bromide (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)
REACH registered substance: Dodecyltrimethylammonium bromide (EC: 214-290-3)
1-Dodecanaminium, N,N,N-trimethyl-, bromide: 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
Causes somnolence and dermatitis in dermal lethal-dose studies of rabbits; Causes other changes in lungs, thorax, or respiration in intravenous lethal-dose studies of mice and rats; [RTECS] Oral LD50 (rat) = 200-1,000 mg/kg; An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS]
Hazard Classes and Categories
Acute Tox. 3 (20.2%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 3
독성 정보
Toxicity Summary
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Laurtrimonium Bromide...
Safe for use in cosmetics, with qualifications
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BQ3195000
- ridadr
- UN3077
- 독성
- LD50 orally in Rabbit: 200 - 1000 mg/kg
- HS 번호
- 29239000
- risk_code
- 36/37/38-22-50/53
- hazard_code
- Xi,Xn,N
- safety_code
- 26-36-37/39-61-60
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- KE-34504
- F 고인화성물질
- 3-10
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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.
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.
용도 및 제조
General Manufacturing Information
Paint and Coating Manufacturing
1-Dodecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
응용 분야
용도Dodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
일반 설명Dodecyltrimethylammonium bromide is a quaternary ammonium surfactant.
상·하류 제품 정보
상류 원료
공급사100 곳
추가 설명
정의ChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
관련 반응
화합물 노트
불러오는 중…