기본 정보
- 표준 SMILES
C[Si](C)(C)O- InChIKey
AAPLIUHOKVUFCC-UHFFFAOYSA-N- 분자식
- C3H10OSi
- 평균 분자량
- 90.2 g/mol
- 단동위원소 질량
- 90.05009147
개요
RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- Trimethylsilanol
- IUPAC
- hydroxy(trimethyl)silane
- 현지명
- 하이드록시트리메틸실란
- 영어명
- hydroxytrimethylsilane
- 분자식
- C3H10OSi
- 분자량
- 90.2
이름 및 동의어
Trimethylsilanol1066-40-6HydroxytrimethylsilaneSilanol, trimethyl-TrimethylhydroxysilaneSilanol, 1,1,1-trimethyl-Z4BIN3300PDTXSID7061433RefChem:191810DTXCID3033010213-914-1hydroxy(trimethyl)silane
이름 더 보기
하이드록시트리메틸실란TMSOHDK031LS 310SilanoleTrimethylsilanol,95%
C3H10OSiMFCD02751657CCRIS 1320EINECS 213-914-1UNII-Z4BIN3300PTrimethylsilanotrimethyl silanoltrimethyl-silanol
데이터베이스 식별자
- CAS
1066-40-6- PubChem CID
- 66110
- DTXSID
DTXSID7061433- ChEMBL
CHEMBL4238997- UNII
- Z4BIN3300P
- EC Number
- 213-914-1
- Nikkaji
- J555J
물성
구조 계산 물성
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 28.4
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Vapor Pressure0.14 [mmHg]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionColorless liquid with a strong odor; [Wacker Silicones MSDS]
물리화학적 성질
- 녹는점
- -4.5 °C · -4.5 °C
- 끓는 점
- 90 ℃/760Torr · 90℃/760Torr
- 밀도
- 0.95 · 0.950
- 증기압
- 19 · 19-55hPa at 25℃
- 굴절률
- 1.3889 · 1.3889
- 인화점
- 4 ° · 4°(39°F)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- Chloroform (Sparingly), DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 12.67 · 12.67±0.58(Predicted)
- Specific Gravity
- 0.8139 · 0.8139
- 색상
- Clear, colourless
- 수용성
- 물에 용해됩니다(1.00mg/ml).
- BRN
- 1361356 · 1361356
- Henry's Law Constant
- 7 · 7.0×10-2 mol/(m3Pa) at 25℃, Xu and Kropscott (2014)
- InChI
- 1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3
- InChIKey
- AAPLIUHOKVUFCC-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)O
- LogP
- 1.19 · 1.19-5.06 at 20-25℃
- NIST
- Silanol, trimethyl(1066-40-6)
- EPA
- Silanol, trimethyl- (1066-40-6)
화학적 성질
Colorless clear liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (5 of 232) of reports.
Danger
H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 232 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Chemical: Silanol, trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 02-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23873
Silanol, trimethyl-: 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
Reduced spontaneous motor activity, staggering gait, and decreased body weight observed in 28-day oral study of rats at the highest tested dose (640 mg/kg/day); No evidence of mutagenicity; [JECDB] Contains 10-30% hexamethyl disiloxane (CAS# 107-46-0) as an impurity; May cause mild eye irritation; [Wacker Silicones MSDS] See Hexamethyldisiloxane and Dimethylsilane.
Hazard Classes and Categories
Flam. Liq. 2 (97.8%)
Flammable liquids - Category 2
안전 및 보호
Protective Action Criteria (PAC)
2.1 [ppm]
23 [ppm]
140 [ppm]
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993BF 3 / PGII
- HS 번호
- 29319090
- risk_code
- 11
- hazard_code
- F
- 위험 등급
- 3
- 기존화학 물질
- KE-20919
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed as a chemical intermediate; [Wacker Silicones MSDS]
General Manufacturing InformationSilanol, 1,1,1-trimethyl-: ACTIVE
응용 분야
개요Trimethylsilanol has strong acidity compared with the corresponding carbon alcohols, can react with tetrahydrolithium aluminum, Si-OH bond can be reduced Si-H bond, can be used as a blocking agent for straight-chain polysiloxanes with hydrophobicity, it is the most important intermediate in the preparation of organosilicon alcohol salts and all kinds of polysiloxanes products including silicone oils, silicone rubbers and silicone resins, etc, and it has a wide range of application prospects.
용도Trimethylsilanol used as a hydrophobic coat on silicate surfaces. Used as an as an antimicrobial agent.
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