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트리메톡시비닐실란

Vinyltrimethoxysilane

HCID 76004
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2768-02-7
표준 SMILES
C=C[Si](OC)(OC)OC
InChIKey
NKSJNEHGWDZZQF-UHFFFAOYSA-N
분자식
C5H12O3Si
평균 분자량
148.23 g/mol
단동위원소 질량
148.05557077

이름 및 식별자

우선 이름
Vinyltrimethoxysilane
IUPAC
ethenyl(trimethoxy)silane
현지명
트리메톡시비닐실란
영어명
Vinyltrimethoxysilane
분자식
C5H12O3Si
분자량
148.23

이름 및 동의어

Vinyltrimethoxysilane2768-02-7TrimethoxyvinylsilaneSilane, ethenyltrimethoxy-Ethenyltrimethoxysilane(Trimethoxysilyl)etheneSilane, trimethoxyvinyl-Vinyl trimethoxy silaneDTXSID20292400ZIU135UESA 171 (Silane derivative)DYNASYLAN SILFIN
이름 더 보기
트리메톡시비닐실란트리메톡시비닐실란(TRIMETHOXYVINYLSILANE)(트라이메톡시실릴)에텐바이닐트라이메톡시실레인에텐일트라이메톡시실레인트라이메톡시바이닐실레인비닐트리메호실란비닐트리메톡시실란VTMSa171VTMOethenyltrimethoxy-Silanekbm1003vts-mCo-Formula CFS-027Vinymethyltrimethoxysilane
KBM 1003SZ 6300DTXCID509240A 171V 4917Y 4302RefChem:901966220-449-8

데이터베이스 식별자

CAS
2768-02-7
PubChem CID
76004
DTXSID
DTXSID2029240
UNII
0ZIU135UES
EC Number
220-449-8、688-602-5
Nikkaji
J54.326H

물성

구조 계산 물성보충 중

극성 표면적
27.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
9
형식 전하
0
복잡도
81.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesViscosity
Density · 2건

1.13 @25 °C

Specific Density: 0.94 (water = 1)

SolubilityWater Solubility: 1,000,000 mg/L at 20°C (modeled data).
Flash Point25.5°C
Boiling Point · 2건

123 °C @760 [mm Hg]

123°C at 1013 hPa (converted to 101.3 kPa) (760 mm Hg)

Melting Point−97°C
Vapor Pressure11.9 hPa (converted to 1.19 kPa) at 20°C
Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2건

Light yellow liquid; [Aldrich MSDS] Colorless liquid with a fruity odor; [Alfa Aesar MSDS]

Liquid (at standard temperature and pressure)

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 7.7% (104 of 1358) of reports.

Danger

H226 (55%): Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Chemical: Silane, ethenyltrimethoxy-

Status: Active Update: 05-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14728

Trimethoxyvinylsilane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary · 1건

Dermal LD50 (rabbit) = 3.36 mL/kg; Oral LD50 (rat) = 7.34 mL/kg; [ChemIDplus] A mild skin and eye irritant; Causes somnolence, ataxia, and dermatitis in dermal lethal-dose studies of rabbits; Causes changes in fluid intake, hematuria, and weight loss in 9-day intermittent inhalation study of rats (750 ppm/6hr/day); [RTECS] Sensitive to moisture; A skin irritant; May cause serious eye injury; Harmful by inhalation; [Alfa Aesar MSDS]

Hazard Classes and Categories · 6건

Flam. Liq. 3 (55%)

Not Classified

Skin sensitisation - category 1B

Flammable liquids - Category 2

Skin sensitization - Category 1B

Skin Sens. 1B

안전 및 보호

Protective Action Criteria (PAC)

화학 및 산업

용도 및 제조

Uses · 1건

The typical concentration of VTMS in industrial products is from 1 to 2%. VTMS undergoes reactions, resulting in minimal or no residual chemical in the final products. It serves as a coupling agent for plastics and wire and cable pipes, acts as a moisture scavenger in sealants, and functions as a co-monomer in latex dispersions to enhance adhesion on inorganic surfaces. VTMS is managed within closed systems (hard piped) in manufacturing environments, and it is not used in consumer products.

Household ProductsInformation on 20 consumer products that contain Trimethoxyvinylsilane in the following categories is provided:
General Manufacturing InformationSilane, ethenyltrimethoxy-: ACTIVE
응용 분야 · 2건

용도VTMS may be used to provide superhydrophobicity to different materials like TiO2, talc, kaolin, magnesium oxide nanoparticles, ammonium phosphate and PEDOT. It modifies the surface by capping the material and creates a protective layer that is water resistant and can be used in major coating industries.

일반 설명Vinyltrimethoxysilane (VTMS) is a silane coupling agent with silicon and hydroxyl groups that can be used to enhance the wettability and improve the superhydrophobic characteristics of different composites.

상·하류 제품 정보

상류 원료

메틸알콜

하류 제품

바이닐트리스(메톡시에톡시)실레인6-Methoxy-2-vinylnaphthalene

관련 반응

27건
반응 기록 만들기
HRID 91516 반응식
HRID 91516반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 93023 반응식
HRID 93023반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 197285 반응식
HRID 197285반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 209127 반응식
HRID 209127생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 229892 반응식
HRID 229892반응물로uspto-grants-2009_07
HRID 229893 반응식
HRID 229893반응물로uspto-grants-2009_07
HRID 229894 반응식
HRID 229894반응물로uspto-grants-2009_07
HRID 352642 반응식
HRID 352642반응물로uspto-grants-2004_06
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화합물 노트

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Stability/Shelf LifeHydrolytically unstable; at pH = 7 (20°C–25°C) half-life <0.2 h
Autoignition Temperature224°C

물리화학적 성질

녹는점
-70 °C · <-70°C
끓는 점
123 °C · 123 °C
밀도
0.97 · 0.97
증기압
88 hPa · 88 hPa (55 °C)
굴절률
1.39 · 1.39
인화점
26 °C · 26 °C
저장 조건
30 °C · Store below +30°C.
물리적 상태
clear liquid
색상
Colorless to Almost colorless
Specific Gravity
0.97 · 0.970
냄새
Fruity odor
폭발한계
1.1 % · 1.1%(V)
수용성
약간 용해됨
BRN
1099136 · 1099136
InChI
1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3
InChIKey
NKSJNEHGWDZZQF-UHFFFAOYSA-N
SMILES
CO[Si](OC)(OC)C=C
LogP
-2 · -2--0.82 at 20℃
NIST
Vinyltrimethoxysilane(2768-02-7)
EPA
Vinyltrimethoxysilane (2768-02-7)

화학적 성질

Colorless transparent liquid

· 3건

10 [ppm]

20 [ppm]

120 [ppm]

Other Standards Regulations and Guidelines · 1건

The subchronic (14-week), whole-body inhalation study (6 h/day, 5 days/week) in F344 rats was used as the critical study for the derivation of the Workplace Environmental Exposure Level (WEEL). The No-Observed-Adverse-Effect Concentration (NOAEC) of 100 ppm (605 mg/m3) was used as the point of departure (PoD). Adjustment factors for subchronic to chronic extrapolation and intra-individual variability were applied to the NOAEC to develop the health-based WEEL value of 10 ppm as the 8-hour time-weighted average (TWA).

독성 정보

Toxicity Summary · 1건

Experimental animal studies have shown that VTMS exhibits low acute toxicity when exposed via oral, dermal, and inhalation routes. It is not a dermal or eye irritant. A weight of evidence assessment of four dermal sensitization studies in guinea pigs indicates that VTMS is not a dermal sensitizer. However, one additional study yielded positive results, leading ECHA to classify VTMS as Category 1B, indicating it may cause an allergic skin reaction. VTMS is not considered genotoxic based on in vitro and in vivo studies. Various experimental animal studies have demonstrated that VTMS does not have reproductive or developmental effects. Short-term oral administration of VTMS for 28 days in rats resulted in treatment-related effects in the urinary bladder and kidney. In a 14-week inhalation study in rats, VTMS exposure was linked to histopathological changes in the kidney and urinary bladder. However, an expert panel review concluded that these observations were adaptive responses to physical or chemical irritant(s) in the urine. The NOAEC of 100 ppm (605 mg/m³) from the 14-week inhalation study was used as the point of departure for deriving the health-based WEEL.

Medical SurveillanceThree producers of VTMS provided information to confirm that there have been no cases of skin sensitization among workers during more than 40 years of manufacture.
Toxicity DataLC50 (rat) = 2,773 ppm

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
VV6770000
ridadr
UN 1993 3/PG 2
독성
LD50 orally in Rabbit: 7120 mg/kg LD50 dermal Rabbit 3259 mg/kg
HS 번호
2931900090
risk_code
10-36/37/38-20
hazard_code
Xi
safety_code
26-36/37/39-37/39-16
포장분류
III
위험 등급
3
기존화학 물질
KE-34395
F 고인화성물질
10-21
자연 발화 온도
235 °C
Hazard Classifications
Acute Tox. 4 InhalationFlam. Liq. 2Skin Sens. 1B
스토리지 클래스
3 - Flammable liquids
3-페닐프로펜-3-올
벤조산,3-에테닐-,메틸에스테르
2-(트리메톡시실릴)에탄티올
N-비닐석신이미드
6-vinyl-2,3-dihydrobenzo[b][1,4]dioxine
1-(thiophen-2-yl)prop-2-en-1-ol
3-Vinylbenzonitrile