基本情報
- 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
名称をさらに表示
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
- 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
Density
1.13 @25 °C
Specific Density: 0.94 (water = 1)
Boiling Point
123 °C @760 [mm Hg]
123°C at 1013 hPa (converted to 101.3 kPa) (760 mm Hg)
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Light yellow liquid; [Aldrich MSDS] Colorless liquid with a fruity odor; [Alfa Aesar MSDS]
Liquid (at standard temperature and pressure)
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
安全と法規制
GHS分類
GHS Classification
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
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
Hazards Summary
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
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)
10 [ppm]
20 [ppm]
120 [ppm]
Other Standards Regulations and Guidelines
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
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.
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
化学と産業
用途と製造
Uses
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.
応用分野
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.
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