스테아트라이모늄클로라이드
Stearyltrimethylammonium chloride
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기본 정보
- CAS
112-03-8- 표준 SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
VBIIFPGSPJYLRR-UHFFFAOYSA-M- 분자식
- C21H46N.Cl
- 평균 분자량
- 348 g/mol
개요
Stearyltrimethylammonium chloride is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Stearyltrimethylammonium chloride
- IUPAC
- trimethyl(octadecyl)azanium chloride
- 현지명
- 스테아트라이모늄클로라이드
- 영어명
- Trimethylstearylammonium Chloride
- 분자식
- C21H46ClN
- 분자량
- 348.06
이름 및 동의어
112-03-8Trimethylstearylammonium chlorideStacCation ABAliquat 7Stearyltrimethylammonium chlorideNissan cation ABQuaternium-10Arquad 18Stearyl trimethyl ammonium chlorideArquad 18-50Monostearyl trimethyl ammonium chloride
이름 더 보기
스테아트라이모늄클로라이드1831Steartrimonium chlorideOTACOctadecy trimethyl ammonium chlorideTC-8
N,N,N-Trimethyl-1-octadecanaminium chlorideCZ70647U92trimethyl(octadecyl)azanium chlorideRefChem:871332N,N,N-trimethyloctadecan-1-aminium chlorideTrimethyloctadecylammonium chlorideOCTADECYLTRIMETHYLAMMONIUM CHLORIDE1-Octadecanaminium, N,N,N-trimethyl-, chloride
데이터베이스 식별자
- CAS
112-03-8- PubChem CID
- 8155
- DTXSID
DTXSID1026902- ChEMBL
CHEMBL118745- ChEBI
CHEBI:81710- UNII
- CZ70647U92
- EC Number
- 203-929-1
물성
구조 계산 물성보충 중
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 204
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)
Preservative; Hair conditioning
Physical DescriptionCBI; Large Crystals
물리화학적 성질
- 끓는 점
- 249 ℃[at · 249℃[at 101 325 Pa]
- 밀도
- 0.91 · 0.91[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 하얀색
- 수소이온지수(pH)
- 5.5 · 5.5-8.5 (20℃, 0.05% in H2O)
- 수용성
- 1.759 mg/L · 물에 용해됨 1.759 mg/L @ 25°C.
- BRN
- 3917847 · 3917847
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 항균 방부제헤어 컨디셔닝대전방지제
- InChI
- 1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
- InChIKey
- VBIIFPGSPJYLRR-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 3.61 at · 3.61 at 25℃
- EPA
- 1 · 1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8)
화학적 성질
solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.
Danger
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 268 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanaminium, N,N,N-trimethyl-, chloride (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: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10127
Octadecyltrimethylammonium chloride: 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.
Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
독성 정보
Health EffectsQuaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
Exposure RoutesOral (A2880) ; inhalation (A2880) ; dermal (L1889)
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...Steartrimonium Chloride...
Safe for use in cosmetics, with qualifications
While quaternium-10 itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880)
Carcinogen ClassificationNot listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BT1750000
- ridadr
- UN1759
- HS 번호
- 29239000
- risk_code
- 20/21/22-36/37/38-21/22
- hazard_code
- Xn
- safety_code
- 26-36/37/39-37/39-36/37
- 위험 등급
- 8
- 기존화학 물질
- KE-34600
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C
- 스토리지 클래스
- 8B - Non-combustible corrosive hazardous materials
화학 및 산업
약리 정보
Metabolism/MetabolitesNitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (A2878, A2879)
용도 및 제조
Uses
CIR ingredient: Steartrimonium Chloride
Quaternium-10 is a quaternary ammonium salt found in numerous cosmetics. (L1890)
U.S. Production2023: <75,000 lb
Household ProductsInformation on 43 consumer products that contain Steartrimonium chloride in the following categories is provided:
Use ClassificationCosmetics -> Preservative; Hair conditioning
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE
응용 분야
용도Emulsion (main components are high polymeric and cyclic silicones); forms a protective film to coat split ends; conditioning agent for rinses and shampoos; glazing agent for hair.
상·하류 제품 정보
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하류 제품
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