基本情報
- CAS
623-17-6- 標準SMILES
CC(=O)OCc1ccco1- InChIKey
CKOYRRWBOKMNRG-UHFFFAOYSA-N- 分子式
- C7H8O3
- 平均分子量
- 140.14 g/mol
- 単同位体質量
- 140.04734411
概要
Furfuryl acetate appears as colorless to clear yellow or orange liquid with a pungent odor. (NTP, 1992)
名称と識別子
- 優先名称
- Furfural acetate
- IUPAC
- furan-2-ylmethyl acetate
- 現地名
- 酢酸フルフリル
- 英語名
- Furfuryl acetate
- 分子式
- C7H8O3
- 分子量
- 140.14
名称と別名
Furfuryl acetate623-17-62-Furanmethanol, acetateFURFURAL ACETATEAcetic acid furfuryl ester2-Furanmethanol acetateFurfuryl alcohol, acetate2-Acetoxymethylfuran2-Furanmethyl acetateAcetic acid furfurylester2-Furylcarbinyl acetate2-Furanmethanol, 2-acetate
名称をさらに表示
酢酸フルフリル2-フランメタノールアセタート酢酸(2-フリル)メチル酢酸2-フリルメチルフルフリルアルコールアセタートフルフリルアセタートフルフリル=アセタート2-(アセトキシメチル)フラン酢酸2-フラニルメチルフルフラ-ルアセテ-トフルフリルアセテートフルフリルアセテート, 99%furfurylFEMA 24902-furfurylacetateFuran-2-ylmethyl acetateFURFURALACETATEFurfuryl acetatFurfury acetate
FEMA No. 2490CCRIS 6242DTXSID70253463CJC9ALG3XNSC 5585EINECS 210-775-9BRN 0116128AI3-11016
データベース識別子
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 39.4 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
- 3
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 122
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
FragrancesFragrance Ingredient (Furfuryl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.1175 at 68 °F (NTP, 1992) - Denser than water; will sink
1.110-1.119
Flavoring AgentsEU Flavoring substances
Solubility
5 to 10 mg/mL at 73 °F (NTP, 1992)
insoluble in water; soluble in oils
miscible (in ethanol)
Flash Point150 °F (NTP, 1992)
Boiling Point
347 to 351 °F at 760 mmHg (NTP, 1992)
175.00 to 177.00 °C. @ 760.00 mm Hg
175-177 °C
Vapor Density4.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
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
This chemical does not meet GHS hazard criteria for 4.6% (65 of 1406) of reports.
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1406 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
Regulatory Information
Chemical: 2-Furanmethanol, acetate
Regulation (EC) No 1831/2003 (amended)
2-Furanmethanol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include edema and skin, eye, mucous membrane and respiratory tract irritation.
Hazards SummarySafe when used as a flavoring agent in food; [EFSA] A skin, eye, mucous membrane, and respiratory tract irritant; [NTP] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
FURFURYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. This compound reacts with strong oxidizing agents, strong acids, strong bases and strong reducing agents. This compound reacts violently with cyanoacetic acid, formic acid, mineral acids, nitric acid and (nitric acid + N204 + sulfuric acid). (NTP, 1992)
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Furanmethanol, 2-acetate: ACTIVE
応用分野
天然物の起源Reported found in roasted almonds, beer, white bread, cocoa, coffee, roasted flberts, roasted onion, roasted peanuts, cooked pork liver, wheaten and crispbread, oats, rum, beer, licorice, dried bonito, sukiyaki and Bourbon vanilla
使用Furfuryl acetate is a flavoring ingredient. It was used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran via Vilsmeier-Haack and Wittig reactions.
一般的な説明Colorless to clear yellow or orange liquid with a pungent odor.
上流・下流製品情報
上流原料
関連反応
4 件
化合物ノート
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