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드로메트리졸트리실록산

Drometrizole trisiloxane

HCID 9848888
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
155633-54-8
표준 SMILES
Cc1cc(CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIKey
HUVYTMDMDZRHBN-UHFFFAOYSA-N
분자식
C24H39N3O3Si3
평균 분자량
501.8 g/mol
단동위원소 질량
501.22992172

개요

Drometrizole trisiloxane is a photostable UVA and UVB light filter. The compound is a lipophilic benzotriazole derivative marketed as Meroxyl XL by L'Oreal, although sunscreens with drometrizole trisiloxane are currently only approved for use in the EU, Canada, Australia, and Japan, among other countries. Despite being used elsewhere in the world with relatively few reports of adverse reactions, the FDA continues to cite that the existing scientific record is not sufficient to establish the compound as being generally recognized as safe and effective for over-the-counter sunscreen use.

이름 및 식별자

우선 이름
Drometrizole trisiloxane
IUPAC
2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
현지명
드로메트리졸트리실록산
영어명
DROMETRIZOLE TRISILOXANE
분자식
C24H39N3O3Si3
분자량
501.84

이름 및 동의어

Drometrizole trisiloxane155633-54-8SilatrizoleMexoryl XLOR 10154OR-10154HC22845I1XDTXSID404317532-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptan-4-yl)propyl]phenolPhenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-3-(1,3,3,3-tetramethyl-1-((trimethylsilyl)oxy)-1-disiloxanyl)propyl)-Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-3-(1,3,3,3-tetramethyl-1-((trimethylsilyl)oxy)disiloxanyl)propyl)-Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl]-
이름 더 보기
드로메트리졸트리실록산드로모트리졸트리실록산DroMetrizde trisiloxaneDrometrizole Trisiloxane (200 mg)Dsunpro XlUV-350 Impurity 2Cresol trisiloxaneEcamsule/Mexoryl XLCresol triazole trisiloxaneDrometrizole Trisiloxane 98%
2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(2-methyl-3-(2,2,4,6,6-pentamethyl-3,5-dioxa-2,4,6-trisilaheptan-4-yl)propyl)phenolRefChem:135828DTXCID30382583919-634-2Drometrizole trisiloxane [WHO-DD]2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol2-(2H-Benzo[d][1,2,3]triazol-2-yl)-6-(3-(1,1,1,3,5,5,5-heptamethyltrisiloxan-3-yl)-2-methylpropyl)-4-methylphenolUNII-HC22845I1X

물성

구조 계산 물성

극성 표면적
69.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
33
형식 전하
0
복잡도
613

실험 및 물리화학적 성질

CosmeticsUv absorber

물리화학적 성질

녹는점
46 · 46-48°C
끓는 점
530.6 · 530.6±60.0 °C(Predicted)
밀도
1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
8.36 · 8.36±0.50(Predicted)
물리적 상태
Solid
색상
페일베이지
BRN
11343300 · 11343300
주요 응용
청소용품화장품환경음식 및 음료개인 위생 관리
화장품 원료 기능
광안정기자외선 필터자외선 흡수제
InChI
InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3
InChIKey
HUVYTMDMDZRHBN-UHFFFAOYSA-N
SMILES
OC1C(=CC(C)=CC=1N1N=C2C=CC=CC2=N1)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.

Not Classified

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Not Classified

유해성 정보

Regulatory Information · 2건

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propyl]

REACH registered substance: 2-(2H-BENZOTRIAZOL-2-YL)-4-METHYL-6-[2-METHYL-3-[1,3,3,3-TETRAMETHYL-1-[(TRIMETHYLSILYL)OXY]DISILOXANYL]PROPYL]PHENOL (EC: 422-940-4)

Hazard Classes and Categories · 2건

Not Classified

Not Classified

안전 데이터

wgk
1
HS 번호
2933997500
Hazard Classifications
Aquatic Chronic 4
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Protein BindingDrometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.
Pharmacodynamics · 1건

As an active ingredient in sunscreen products, drometrizole trisiloxane is applied directly onto human skin where it acts as a chemical sunscreen layer between skin and sunlight that also directly absorbs the UV sunlight radiation. Since drometrizole trisiloxane is also considered to have little to no absorption through the skin, little systemic exposure and pharmacokinetics are expected and users can freely wash off and re-apply the compound as necessary.

Mechanism of Action · 1건

Ultraviolet radiation is the invisible energy component to sunlight and consists of three wavelength ranges: (a) UVA is long-range UV radiation between 320-400nm. Although not as energetic as UVB, UVA can penetrate deep into the dermis. UVA can cause immediate tanning, premature skin aging, and can also play a role in the formation of some skin cancers. Approximately 95% of UVA from the sun passes through Earth's ozone layer. (b) UVB is short-wavelength UV radiation between 280-320nm. It is capable of penetrating the outer protective layer of the skin and is responsible for delayed tanning, sunburns, and most skin cancers. A large amount of UVB is absorbed by the ozone layer, however, as only 5% reaches the Earth's surface. (c) UVC is comprised of wavelengths between 100-280nm and is very energetic. It is very dangerous to all forms of life, even when the exposure is short. However, UVC radiation is generally filtered out by the ozone layer and never reaches the Earth. Ultimately, the shorter the wavelength, the more harmful the UV radiation - although shorter wavelength UV radiation is less able to penetrate the skin. Subsequently, drometrizole trisiloxane is a broad spectrum lipophilic benzotriazole derivative chemical sunscreen that is capable of absorbing UVA and UVB radiation. It is also photostable, meaning that it will not degrade in the presence of sunlight, unlike other UV filters like the widely used UVA absorber avobenzone. When combined with the UV blocker ecamsule, it has been shown that the two UV blockers elicit a synergistic effect involving an enhanced protective action for the skin against UVA and UVB radiation. Additionally, drometrizole trisiloxane is usually combined with other active sunscreen agents like titanium dioxide, avobenzone, and others to ensure the combined product covers or protects against as broad a spectrum of UV radiation as possible, considering drometrizole trisiloxane does not absorb against the entire range of UV radiation. And finally, at the molecular level, it is believed that the general structure of various UV blockers like drometrizole trisiloxane as aromatic molecules conjugated with carbonyl groups is capable of absorbing high energy ultraviolet rays and then consequently releasing that energy as less harmful, lower energy rays.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
155633-54-8
PubChem CID
9848888
DTXSID
DTXSID40431753
UNII
HC22845I1X
EC Number
422-940-4、687-624-2、919-634-2
Nikkaji
J1.361.521G
Biological Half-LifeDrometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.
Metabolism/MetabolitesDrometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.
Absorption, Distribution and Excretion · 4건

Drometrizole trisiloxane is reported as having little to no absorption through the skin. At this time, however, studies demonstrate that the components of most commonly used sunscreens are likely absorbed into the skin at least to some extent - although penetration to deeper tissues and the cutaneous circulation remains limited. Despite the extensive use of sunscreen products around the world, there have been few reports of adverse effects related to their use.

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

Drometrizole trisiloxane is reported as having little to no absorption through the skin. The systemic presence of the compound is consequently expected to be minimal.

용도 및 제조

Use ClassificationCosmetics -> Uv absorber

응용 분야

용도drometrizole trisiloxane is a uV absorber/uV filter, it provides uVBand some uVA-spectrum protection.

공급사100 곳

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