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ビニルトリメトキシシラン

Vinyltrimethoxysilane

HCID 76004
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基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
2768-02-7
標準SMILES
C=C[Si](OC)(OC)OC
InChIKey
NKSJNEHGWDZZQF-UHFFFAOYSA-N
分子式
C5H12O3Si
平均分子量
148.23 g/mol
単同位体質量
148.05557077

名称と識別子

優先名称
Vinyltrimethoxysilane
IUPAC
ethenyl(trimethoxy)silane
現地名
ビニルトリメトキシシラン
英語名
Vinyltrimethoxysilane
分子式
C5H12O3Si
分子量
148.23

名称と別名

Vinyltrimethoxysilane2768-02-7TrimethoxyvinylsilaneSilane, ethenyltrimethoxy-Ethenyltrimethoxysilane(Trimethoxysilyl)etheneSilane, trimethoxyvinyl-Vinyl trimethoxy silaneDTXSID20292400ZIU135UESA 171 (Silane derivative)DYNASYLAN SILFIN
名称をさらに表示
ビニルトリメトキシシラントリメトキシビニルシラン1-(トリメトキシシリル)エテントリメトキシ(ビニル)シランビニルトリメトキシシラン, 98%エテニルトリメトキシシランVTMSa171VTMOethenyltrimethoxy-Silanekbm1003vts-mCo-Formula CFS-027Vinymethyltrimethoxysilane
KBM 1003SZ 6300DTXCID509240A 171V 4917Y 4302RefChem:901966220-449-8

データベース識別子

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

物性

構造計算による物性補完中

極性表面積
27.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
4
重原子数
9
形式電荷
0
複雑度
81.9

実験および物理化学的性質

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

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 · 2 件

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 · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical Description · 2 件

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

Liquid (at standard temperature and pressure)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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 · 6 件

Flam. Liq. 3 (55%)

Not Classified

Skin sensitisation - category 1B

Flammable liquids - Category 2

Skin sensitization - Category 1B

Skin Sens. 1B

安全と保護具

Protective Action Criteria (PAC)

化学と産業

用途と製造

Uses · 1 件

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
応用分野 · 3 件

用途シランカップリング剤

使用VTMS 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.

一般的な説明Vinyltrimethoxysilane (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.

上流・下流製品情報

上流原料

メタノール

下流製品

ビニルトリス(2-メトキシエトキシ)シラン6-メトキシ-2-ビニルナフタレン

関連反応

27 件
反応記録を作成
HRID 91516 の反応式
HRID 91516反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 93023 の反応式
HRID 93023反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 197285 の反応式
HRID 197285反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 209127 の反応式
HRID 209127生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 229892 の反応式
HRID 229892反応物としてuspto-grants-2009_07
HRID 229893 の反応式
HRID 229893反応物としてuspto-grants-2009_07
HRID 229894 の反応式
HRID 229894反応物としてuspto-grants-2009_07
HRID 352642 の反応式
HRID 352642反応物としてuspto-grants-2004_06
1 / 4 ページ

化合物ノート

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このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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Stability/Shelf LifeHydrolytically unstable; at pH = 7 (20°C–25°C) half-life <0.2 h
Autoignition Temperature224°C

物理化学的性質

融点
-70 °C · <-70°C
沸点
123 °C · 123 °C (lit.)
比重(密度)
0.968 g/mL · 0.968 g/mL at 25 °C (lit.)
蒸気圧
88 hPa · 88 hPa (55 °C)
屈折率
20 · n20/D 1.392(lit.)
闪点
73 °F · 73 °F
貯蔵温度
30 °C · Store below +30°C.
外見
液体
色
Colorless to Almost colorless
比重
0.97 · 0.970
臭い (Odor)
Fruity odor
爆発限界(explosive limit)
1.1 % · 1.1%(V)
水溶解度
わずかに溶ける
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℃
CAS データベース
2768 · 2768-02-7(CAS DataBase Reference)
NISTの化学物質情報
Vinyltrimethoxysilane(2768-02-7)
EPAの化学物質情報
Vinyltrimethoxysilane (2768-02-7)

化学的性質

化学的特性Colorless transparent liquid

· 3 件

10 [ppm]

20 [ppm]

120 [ppm]

Other Standards Regulations and Guidelines · 1 件

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).

毒性情報

Toxicity Summary · 1 件

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

安全データ

F
10-21
wgk
1
tsca
TSCA listed
rtecs
VV6770000
ridadr
UN 1993 3/PG 2
毒性
LD50 orally in Rabbit: 7120 mg/kg LD50 dermal Rabbit 3259 mg/kg
hs_code
29310095
risk_code
10-36/37/38-20
化審法
(2)-2066
消防法
危-4-2-III
hazard_code
Xi
safety_code
26-36/37/39-37/39-16
hazard_class
3
packing_group
III
自然発火温度
235 °C
Hazard Classifications
Acute Tox. 4 InhalationFlam. Liq. 2Skin Sens. 1B
ストレージクラス
3 - Flammable liquids
1-フェニルアリルアルコール
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N-ビニルスクシンイミド
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m-シアノスチレン