基本情報
- 標準SMILES
C=CCOCC- InChIKey
OJPSFJLSZZTSDF-UHFFFAOYSA-N- 分子式
- C5H10O
- 平均分子量
- 86.13 g/mol
- 単同位体質量
- 86.07316494
概要
Allyl ethyl ether appears as a liquid. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
名称と識別子
- 優先名称
- Allyl ethyl ether
- IUPAC
- 3-ethoxyprop-1-ene
- 現地名
- アリル エチル エーテル
- 英語名
- ALLYL ETHYL ETHER
- 分子式
- C5H10O
- 分子量
- 86.13
名称と別名
名称をさらに表示
データベース識別子
- CAS
557-31-3- PubChem CID
- 11191
- DTXSID
DTXSID4060319- UNII
- SM8T658RE3
- EC Number
- 209-169-7
- Nikkaji
- J61.531E
物性
構造計算による物性
- XLogP
- 1.1
- 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
- 3
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 32.9
実験および物理化学的性質
Chemical Classes
Other Classes -> Ethers, Other
Flammable agents - 3rd degree
Physical Description
Allyl ethyl ether appears as a liquid. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
Liquid; [Merck Index]
物理化学的性質
- 融点
- -140 °C · -140°C (estimate)
- 沸点
- 65 · 65-66 °C(lit.)
- 比重(密度)
- 0.76 g/mL · 0.76 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.388(lit.)
- 闪点
- 5 °F · −5 °F
- 貯蔵温度
- Refrigerator
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 比重
- 0.76 · 0.7600
- 水溶解度
- 有機溶媒に可溶、エタノール、ジエチルエーテルと混和。水に不溶。
- Merck
- 14 · 14,293
- BRN
- 1361480 · 1361480
- InChI
- 1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
- InChIKey
- OJPSFJLSZZTSDF-UHFFFAOYSA-N
- SMILES
- CCOCC=C
- CAS データベース
- 557 · 557-31-3(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1-Propene, 3-ethoxy- (557-31-3)
化学的性質
化学的特性Allyl ethyl ether is an extremely flammable liquid.
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
May cause skin, eye, and mucous membrane irritation; Toxic; [Merck Index] Readily oxidized by air forming unstable peroxides that may spontaneously explode; [CAMEO] May form explosive peroxides; An irritant; Toxic by ingestion and inhalation; [Alfa Aesar MSDS]
DOT Hazard Classification
Allyl ethyl ether
UN2335
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Peroxide Forming Chemical
Allyl ethyl ether
D: Other compounds that may form peroxides
Moderate peroxides found in new commerically available containers
Kelly
An explosion occured during distillation. See Bretherick's.
Anon., ABCM Quart. Safety Summ., 1963, 34, 7
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Immediate precautionary measure
安全データ
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KM9120000
- ridadr
- UN 2335
- hs_code
- 2909.19.1800
- risk_code
- 11-36/37/38
- 消防法
- 危-4-1-II
- hazard_code
- F,Xi,T
- safety_code
- 16-26
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 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Allyl ethyl ether is used as an intermediate to manufacture other chemicals.
一般的な説明A liquid. Flash point below 75°F. Insoluble in water and less dense than water. Hence floats on water. Emits acrid irritating fumes when heated to high temperature. Used to make other chemicals.
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