基本情報
- 標準SMILES
CCCCCOCCCCC- InChIKey
AOPDRZXCEAKHHW-UHFFFAOYSA-N- 分子式
- C10H22O
- 平均分子量
- 158.28 g/mol
- 単同位体質量
- 158.16706532
概要
diesel fuel additive
名称と識別子
- 優先名称
- Pentyl ether
- IUPAC
- 1-pentoxypentane
- 現地名
- アミルエーテル
- 英語名
- PENTYL ETHER
- 分子式
- C10H22O
- 分子量
- 158.28
名称と別名
名称をさらに表示
データベース識別子
- CAS
693-65-2- PubChem CID
- 12743
- DTXSID
DTXSID4022105- UNII
- 4G19C1NH3E
- EC Number
- 211-756-8
- Nikkaji
- J6.935C
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 8
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 53.9
実験および物理化学的性質
物理化学的性質
- 融点
- 69 °C · −69 °C(lit.)
- 沸点
- 187 · 187-188 °C(lit.)
- 比重(密度)
- 0.785 g/mL · 0.785 g/mL at 25 °C(lit.)
- 蒸気密度
- 5.46 · 5.46
- 蒸気圧
- 0.7 hPa · 0.7 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.412(lit.)
- 闪点
- 135 °F · 135 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 水溶解度
- Insoluble in water
- 外見
- 液体
- 色
- Colorless to Almost colorless
- 爆発限界(explosive limit)
- 2 · 2.0-8.0%(V)
- 比熱容量
- 1.58 J/ · Cp(liquid): 1.58 J/(g·K), at 25℃
- Merck
- 14 · 14,608
- BRN
- 1698030 · 1698030
- Henry's Law Constant
- 3.5 · 3.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 3.1 · 3.1(16℃)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
- InChIKey
- AOPDRZXCEAKHHW-UHFFFAOYSA-N
- SMILES
- CCCCCOCCCCC
- CAS データベース
- 693 · 693-65-2(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · Pentane, 1,1'-oxybis- (693-65-2)
化学的性質
化学的特性Commercial diamyl ether consists principally of di-n-amyl ether and di-isoamyl ether, with small percentages of isomeric amyl ethers and diamylene. It is a colorless to light yellow liquid which is quite stable. It is insoluble in water but soluble in methanol, ethyl ether, ethyl acetate, acetone, aliphatic and aromatic hydrocarbons, fixed oils, oleic and hot stearic acids, hot paraffin and carnauba waxes, the latter two solidifying when cooled. Unlike the lower aliphatic ethers, it will not dissolve nitrocellulose when admixed with ethanol. However, a mixture of diamyl ether and 20% ethanol will dissolve ethylcellulose.
安全と法規制
GHS分類
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Pentane, 1,1'-oxybis-
Pentane, 1,1'-oxybis-: Does not have an individual approval but may be used under an appropriate group standard
Peroxide Forming Chemical
n-Amyl ether
D: Other compounds that may form peroxides
Kelly
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SC2900000
- ridadr
- UN 3271 3/PG 3
- 毒性
- LD50 ivn-mus: 164 mg/kg JPMSAE 67,566,78
- hs_code
- 2909 19 90
- risk_code
- 10
- 化審法
- (2)-365
- 消防法
- 危-4-2-III
- safety_code
- 16
- hazard_class
- 3.2
- packing_group
- III
- 自然発火温度
- 180 °C
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
使用Dipentyl ether has been used to compose the binary mixtures with various imidazole derivatives. Solid-liquid equilibrium (SLE) of these binary mixtures have been evaluated by a dynamic method.
一般的な説明Dipentyl ether (1,1-Dipentyl ether, DPeE) is an aliphatic diether. It is formed as one of the major product during the dehydration of pentan-1-ol.
調製方法
製造方法1、Pentyl ether can be prepared from iso-Amylalcohol by dehydration.2、It can be prepared from iso-Amylbromide and Sodium amylalcoholate.
純化方法Repeatedly reflux amyl ether over sodium and distil it. [Beilstein 1 IV 1643.]
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