基本情報
- CAS
10213-75-9- 標準SMILES
CCCCC(CC)COCCC#N- InChIKey
HXBFULVLSKAGSQ-UHFFFAOYSA-N- 分子式
- C11H21NO
- 平均分子量
- 183.29 g/mol
- 単同位体質量
- 183.16231429
概要
3-[(2-ethylhexyl)oxy]propionitrile is a slightly cloudy yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 3-((2-Ethylhexyl)oxy)propionitrile
- IUPAC
- 3-(2-ethylhexoxy)propanenitrile
- 現地名
- 3-(2-エチルヘキシルオキシ)プロパンニトリル
- 英語名
- 3-[(2-ethylhexyl)oxy]propiononitrile
- 分子式
- C11H21NO
- 分子量
- 183.29
名称と別名
3-((2-Ethylhexyl)oxy)propionitrile10213-75-93-(2-Ethylhexyloxy)propionitrileCCRIS 46473-[(2-Ethylhexyl)oxy]propiononitrile3-[(2-Ethylhexyl)oxy]propanenitrileDTXSID60253033-(2-Ethylhexyloxy)propannitrilPropanenitrile, 3-((2-ethylhexyl)oxy)-EINECS 233-519-83-((2-ethylhexyl)oxy)propanenitrilePropionitrile, 3-(2-ethylhexyloxy)-
名称をさらに表示
3-(2-エチルヘキシルオキシ)プロパンニトリル3-[(2-エチルヘキシル)オキシ]プロパンニトリルβ(2-Ethyl hexoxy)propionitrilePropionitrile, 3-(2-ethylhexyloxy).
BRN 17559943-(2-Ethylhexyloxy)propannitril [Czech]AI3-08290W0FO382U283-((2-Ethylhexyl)oxy)propiononitrilePropanenitrile, 3-[(2-ethylhexyl)oxy]-DTXCID3053033-03-00-00539 (Beilstein Handbook Reference)
データベース識別子
- CAS
10213-75-9- PubChem CID
- 25053
- DTXSID
DTXSID6025303- ChEMBL
CHEMBL3183577- UNII
- W0FO382U28
- EC Number
- 233-519-8
- Nikkaji
- J35.378G
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 33 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 147
実験および物理化学的性質
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Physical Description
3-[(2-ethylhexyl)oxy]propionitrile is a slightly cloudy yellow liquid. (NTP, 1992)
Liquid
物理化学的性質
- 沸点
- 316.99 °C · 316.99°C (rough estimate)
- 比重(密度)
- 0.9534 · 0.9534 (rough estimate)
- 屈折率
- 1.445 · 1.4450 (estimate)
- EPAの化学物質情報
- 3 · 3-[(2-Ethylhexyl)oxy]propionitrile (10213-75-9)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Propanenitrile, 3-[(2-ethylhexyl)oxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3-[(2-ethylhexyl)oxy]- 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)
DOT LabelFlammable Liquid Poison
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to this compound may cause eye irritation.
Reactive GroupEthers
Reactivity Profile
Nitriles, such as 3-[(2-ETHYLHEXYL)OXY]PROPIONITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 3-[(2-ethylhexyl)oxy]-: ACTIVE
応用分野
一般的な説明Slightly cloudy yellow liquid.
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