基本信息
- 标准SMILES
CCc1ccco1- InChIKey
HLPIHRDZBHXTFJ-UHFFFAOYSA-N- 分子式
- C6H8O
- 平均分子量
- 96.13 g/mol
- 单同位素质量
- 96.05751487
名称与标识
- 首选名称
- 2-Ethylfuran
- IUPAC
- 2-ethylfuran
- 中文名
- 2-乙基呋喃
- 英文名
- 2-Ethylfuran
- 分子式
- C6H8O
- 分子量
- 96.13
名称与别名
展开更多名称
数据库标识
- CAS
3208-16-0- PubChem CID
- 18554
- DTXSID
DTXSID7062906- ChEMBL
CHEMBL2269084- ChEBI
CHEBI:141565- UNII
- T8O6J71T9O
- EC Number
- 221-714-0
- Nikkaji
- J45.568G
性质
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 13.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 52
实验与物化性质
Solubility
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
92.00 to 93.00 °C. @ 765.00 mm Hg
92-93 °C
Kovats Retention Index
676;689.8;682;694;733;698;691;692;684;694;676;685.81;687.1;690;694;694;705;689;688;689.6
703;720;691;702;713;700;702;701;730;691;691;704;705;700;701;702;701;707;707;713
945;950;950;950;955;955;947;956;949;952;945;962;949;945;957;952;960;962;964;965
物理化学性质
- 熔点
- -62.8 °C · -62.8°C (estimate)
- 沸点
- 92 · 92-93 °C/768 mmHg (lit.)
- 密度
- 0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
- 折射率
- 20 · n20/D 1.439(lit.)
- FEMA
- 3673 · 3673 | 2-ETHYLFURAN
- 闪点
- 28 °F · 28 °F
- 储存条件
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 溶解度
- Chloroform (Slightly), Methanol (Slightly)
- 形态
- liquid
- 比重
- 0.912 · 0.912
- 颜色
- Colorless to Orange to Green
- 气味 (Odor)
- 10 % · at 10.00 % in dipropylene glycol. chemical beany ethereal cocoa bready malty coffee nutty
- 香型
- chemical
- 生物来源
- synthetic
- 敏感性
- Air Sensitive
- JECFA Number
- 1489 · 1489
- BRN
- 105401 · 105401
- 主要应用
- flavors and fragrances
- InChI
- 1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
- InChIKey
- HLPIHRDZBHXTFJ-UHFFFAOYSA-N
- SMILES
- CCc1ccco1
- LogP
- 2.4 · 2.40
- CAS 数据库
- 3208 · 3208-16-0(CAS DataBase Reference)
- NIST化学物质信息
- 2 · Furan, 2-ethyl-(3208-16-0)
- EPA化学物质信息
- 2 · Furan, 2-ethyl- (3208-16-0)
化学性质
无色液体,呈强烈焦香香气,低浓度时呈浓厚的甜香香气和咖啡似芳香风味。沸点931℃。几不溶于水,溶于乙醇。天然品存在于番茄、咖啡和椒样薄荷等中。
安全与法规
GHS分类
GHS Classification
Danger
H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral];H330 (88.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P316, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1447 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
Regulatory Information
Chemical: Furan, 2-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
法规信息
Regulatory Information
Chemical: Furan, 2-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全数据
- wgk
- 3
- tsca
- TSCA listed
- hazard_note
- Irritant
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-29-33-9
- 海关编码
- 29321900
- 危险品标志
- F,Xi
- 危险性类别
- Flam. Liq. 2
- 危险类别码
- 11
- 危险品运输编号
- UN 1993 3/PG 2
毒性防护
毒性可安全用于食品(FDA,§172.515,2000)。
化学与工业
药理信息
用途与制造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
应用领域
用途GB 2760--1996规定为允许使用的食品用香料。
制备方法
生产方法由呋喃基甲基原醇脱水后还原而成。
上下游产品信息
上游原料
下游产品
试剂价格
- A15520 · 5g
- 2-乙基呋喃, 98+%2-Ethylfuran, 98+% — 215元
- E0454 · 10ML
- 2-乙基呋喃2-Ethylfuran — 250元
供应商50 家
相关反应
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