베헨트라이모늄메토설페이트
Behentrimonium Methosulfate
기본 정보
- CAS
81646-13-1- 표준 SMILES
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
QIVLQXGSQSFTIF-UHFFFAOYSA-M- 분자식
- C26H57NO4S
- 평균 분자량
- 479.8 g/mol
- 단동위원소 질량
- 479.40083047
개요
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...Behentrimonium Methosulfate...
이름 및 식별자
- 우선 이름
- Behentrimonium Methosulfate
- IUPAC
- docosyl(trimethyl)azanium;methyl sulfate
- 현지명
- 베헨트라이모늄메토설페이트
- 영어명
- docosyltrimethylammonium methyl sulphate
- 분자식
- C26H57NO4S
- 분자량
- 479.81
이름 및 동의어
Behentrimonium methosulfateDocosyltrimethylammonium methyl sulphate5SHP745C61EINECS 279-791-1Behenyl trimethyl ammonium methosulfateDTXSID00231231BEHENTRIMONIUM METHOSULPHATEEC 279-791-1behenyltrimethylammonium methyl sulfateN,N,N-Trimethyl-1-docosanaminium methosulfateBEHENYL TRIMETHYL AMMONIUM METHOSULPHATE1-Docosanaminium, N,N,N-trimethyl-, methosulfate
이름 더 보기
베헨트라이모늄메토설페이트도코실트리메틸암모늄메틸설페이트BTMS 50BTMS 25Behenyl trimethyl ammonium methyl sulfatebehenetrimonium methosulfatedocosyltrimethylammonium methyl sulphate Basic informationBehentrimoniumBTMS 50 BTMS25docosyl-triMethyl-azaniuMBehentrimonium MesosulfateBehenyl trimethyl ammonium
RefChem:561202DTXCID00153722BEHENTRIMONIUM METHOSULFATE [INCI]81646-13-1N,N,N-trimethyldocosan-1-aminium methyl sulfatedocosyl(trimethyl)azanium;methyl sulfateUNII-5SHP745C61docosyl-trimethyl-azanium; sulfonatooxymethane
물성
구조 계산 물성
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 344
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Behentrimonium Methosulfate) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic; Surfactant
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 밀도
- 0.92 · 0.92[at 20℃]
- 용해도
- 7.2 g/L · 7.2g/L in organic solvents at 20 ℃
- 냄새
- 100 · 100.00?%. 온화한
- 수용성
- 7 mg/L · 7mg/L at 25℃
- 화장품 원료 기능
- 대전방지제계면활성제 - 세정헤어 컨디셔닝
- InChI
- InChI=1S/C25H54N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;1-5-6(2,3)4/h5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
- InChIKey
- QIVLQXGSQSFTIF-UHFFFAOYSA-M
- SMILES
- S([O-])(=O)(=O)OC.C(CC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC
- LogP
- 3.01 at · 3.01 at 20℃
화학적 성질
Docosyltrimethylammonium methyl sulphate is a white flakes, soluble in water and ethanol, has good compatibility with cationic and non-ionic surfactants, and is stable below 100 ℃. It has excellent thickening, emulsifying and softening properties.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: Docosyltrimethylammonium methyl sulphate (EC: 279-791-1)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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...Behentrimonium Methosulfate...
Safe for use in cosmetics, with qualifications
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
용도 및 제조
UsesCIR ingredient: Behentrimonium Methosulfate
Household ProductsInformation on 82 consumer products that contain Behentrimonium methosulfate in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Antistatic; Surfactant
응용 분야
개요From the middle of the 20th century, docosyltrimethylammonium methyl sulphate started to be the perfect ingredient of shampoos and hair conditioning products since it can moisturize and condition hair to the roots. It penetrates up to the hair shaft making hair healthier and thus easy to comb and maintain. Other chemical additives may have the same property as BTMS but are not as mild as well. In another side, BTMS does not coat the scalp and leave excess chemical build up on the surface of the scalp but penetrates hair up to the roots.
상·하류 제품 정보
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