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헥사메틸사이클로트라이실록세인

Hexamethylcyclotrisiloxane

HCID 10914
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
541-05-9
표준 SMILES
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
InChIKey
HTDJPCNNEPUOOQ-UHFFFAOYSA-N
분자식
C6H18O3Si3
평균 분자량
222.46 g/mol
단동위원소 질량
222.05637404

개요

Hexamethylcyclotrisiloxane is an organosilicon compound.

이름 및 식별자

우선 이름
Hexamethylcyclotrisiloxane
IUPAC
2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane
현지명
헥사메틸사이클로트라이실록세인
영어명
Hexamethylcyclotrisiloxane
분자식
C6H18O3Si3
분자량
222.46

이름 및 동의어

HEXAMETHYLCYCLOTRISILOXANE541-05-9Cyclotrisiloxane, hexamethyl-Dimethylsiloxane cyclic trimerSDK 10DTXSID6027185DC 246LS 8120EPV75L8O0RDTXCID307185RefChem:786203208-765-4
이름 더 보기
헥사메틸사이클로트라이실록세인헥사메틸사이클로트라이실록세인(HEXAMETHYLCYCLOTRISILOXANE)CYCLOTRISILOXANEcyclotrisiloxane,hexamethyl-Hexamethylcyclotrisihexamethyl-cyclotrisiloxanDK813DK327CH7260
2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-trioxatrisilinaneC6H18O3Si3Simethicone Impurity 2MFCD00005943hexamethyl-1,3,5,2,4,6-trioxatrisilinaneCyclotrisiloxane, 2,2,4,4,6,6-hexamethyl-S09550CCRIS 1326

데이터베이스 식별자

CAS
541-05-9
PubChem CID
10914
DTXSID
DTXSID6027185
ChEMBL
CHEMBL3182063
ChEBI
CHEBI:189167
UNII
EPV75L8O0R
EC Number
208-765-4
Nikkaji
J95.632E

물성

구조 계산 물성

극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12
형식 전하
0
복잡도
139

실험 및 물리화학적 성질

Chemical ClassesMetals -> Metalloid Compounds (Silicon)
CosmeticsHair conditioning; Emollient; Solvent
SpringerMaterials PropertiesSchoenflies notation
Density1.12 @25 °C
Boiling Point134 °C @760 [mm Hg]
Melting Point64.5 °C
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description · 2건

CBI; Liquid

White solid; [EPA - TSCATS] Crystals; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
50 · 50-64 °C (lit.)
끓는 점
134 °C · 134 °C (lit.)
밀도
1.02 · 1.02
증기 밀도
1 · 1 (vs air)
증기압
0.014 · 0.014-671Pa at 24.85-25℃

안전 및 규제

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

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 58.4% (479 of 820) of all reports.

Danger

H228 (41.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 820 reports by companies from 10 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Cyclotrisiloxane, hexamethyl-

Cyclotrisiloxane, 2,2,4,4,6,6-hexamethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclotrisiloxane, 2,2,4,4,6,6-hexamethyl- 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: Hexamethylcyclotrisiloxane (EC: 208-765-4)

Cyclotrisiloxane, hexamethyl-: 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 - Cyclic volatile methyl siloxanes: Environment tier II assessment
Hazards Summary · 1건

A 28-day inhalation study of rats produced reduced motor activity, decreased seminal vesicle weight, and decreased litter size and number of implantation sites at 2,500 ppm; [EPA - TSCATS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Octamethylcyclotetrasiloxane.

Hazard Classes and CategoriesFlam. Sol. 1 (41.6%)

안전 및 보호

Protective Action Criteria (PAC)

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesMonomers
Household ProductsInformation on 2 consumer products that contain Hexamethylcyclotrisiloxane in the following categories is provided:
Use ClassificationCosmetics -> Hair conditioning; Emollient; Solvent
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Cyclotrisiloxane, 2,2,4,4,6,6-hexamethyl-: ACTIVE

응용 분야 · 1건

용도Hexamethylcyclotrisiloxane, is the simplest member of a series of cyclic oligodimethylsiloxanes, primarily used as synthetic equivalents for the reactive interme- diate dimethylsilanone. It is one of the main raw materials for silicone products. It is widely used in aviation, military industry, medicine and petrochemicals etc. Hexamethylcyclotrisiloxane undergoes ring-opening anionic polymerization reactions, suggesting use in polymer synthesis. It is also suggested for the treatment of powders and fillers to render them hydrophobic. Hexamethylcyclotrisiloxane mainly used for products of methyl vinyl silicone rubber. It’s also the important raw materials for synthesizing other high polymers. It may be used as an effective trapping reagent for a variety of short-lived intermediates, including silanones and silyenes. Hexamethylcyclotrisiloxane has many unique characteristics.The reaction of It is more active, can be easily and quickly polymerized under lower temperature and simple catalysts. may be used to synthesize many kinds of organic silicone products, which have better stability, better insulation properties and better water resistance. may be used to synthesize silicon rubber, which may has better elasticity, better abrasive resistance, and better corrosive resistance. may be used to synthesize silicone oil, which may has lower freezing point and less surface tension, it is slightly affected by temperature. Hexamethylcyclotrisiloxane is flammable. Use and store with all precautions required for Flammable Materials. Care should be exercised in handling GP-685 to prevent contact with skin or eyes. Wear safety glasses with side shields and rubber gloves when handling.

관련 반응

8건
반응 기록 만들기
HRID 16035 반응식
HRID 16035반응물로uspto-grants-2010_06
HRID 16036 반응식
HRID 16036반응물로uspto-grants-2010_06
HRID 16037 반응식
HRID 16037반응물로uspto-grants-2010_06
HRID 318242 반응식
HRID 318242반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 736582 반응식
HRID 736582반응물로uspto-grants-2009_09
HRID 736583 반응식
HRID 736583반응물로uspto-grants-2009_09
HRID 736584 반응식
HRID 736584반응물로uspto-grants-2009_09
HRID 1570099 반응식
HRID 1570099반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
인화점
95 °F · 95 °F
저장 조건
Inert atmosphere,Room Temperature
용해도
대부분의 유기용매에 용해됩니다.
물리적 상태
고체
Specific Gravity
1.02 · 1.02
색상
흰색에서 거의 흰색
수용성
분해될 수 있음
BRN
1766829 · 1766829
Henry's Law Constant
5.6 · 5.6×10-6 mol/(m3Pa) at 25℃, Mazzoni et al. (1997)
안정성
안정적이지만 습기에 민감합니다. 강한 산화제와 호환되지 않습니다. 가연성이 높습니다.
주요 응용
청소용품화장품환경음식 및 음료개인 위생 관리
InChI
1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
InChIKey
HTDJPCNNEPUOOQ-UHFFFAOYSA-N
SMILES
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
LogP
-0.38 · -0.38-4.4 at 20-25℃
NIST
Hexamethylcyclotrisiloxane(541-05-9)
EPA
Hexamethylcyclotrisiloxane (541-05-9)

화학적 성질

White crystalline solid

· 3건

360 [mg/m3]

530 [mg/m3]

1600 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1325 4.1/PG 2
HS 번호
29319090
risk_code
11-36/37/38
hazard_code
F,Xi
safety_code
26
포장분류
II
위험 등급
4.1
기존화학 물질
KE-18604
Hazard Classifications
Flam. Sol. 1
스토리지 클래스
4.1B - Flammable solid hazardous materials

상·하류 제품 정보

상류 원료

Tetradecamethylhexasiloxane데카메틸테트라실록산옥타메틸시클로테트라실록산디메틸디클로로실란트리메틸클로로실란

하류 제품

테트라데카메틸사이클로헵타실록산1,3-Bis(chloromethyl)-1,1,3,3-tetramethyldisiloxane클로로메틸메틸술파이드헥사메틸다이사이록산