基本情報
- CAS
1797-74-6- 標準SMILES
C=CCOC(=O)Cc1ccccc1- InChIKey
ZCDYAMJXVAUTIM-UHFFFAOYSA-N- 分子式
- C11H12O2
- 平均分子量
- 176.21 g/mol
- 単同位体質量
- 176.08372962
概要
2-Propenyl phenylacetate is a member of benzenes.
名称と識別子
- 優先名称
- Allyl phenylacetate
- IUPAC
- prop-2-enyl 2-phenylacetate
- 現地名
- フェニル酢酸アリル
- 英語名
- Allyl phenylacetate
- 分子式
- C11H12O2
- 分子量
- 176.21
名称と別名
Allyl phenylacetate1797-74-62-Propenyl phenylacetatePhenylacetic acid allyl esterprop-2-enyl 2-phenylacetateBenzeneacetic acid, 2-propen-1-yl esterBenzeneacetic acid, 2-propenyl esterAllyl alpha-toluate2-Propenyl benzeneacetateACETIC ACID, PHENYL-, ALLYL ESTERFEMA No. 2039NSC 6574
名称をさらに表示
フェニル酢酸アリルアリル=フェニルアセタートベンゼン酢酸アリルフェニル酢酸2-プロペニルベンゼン酢酸2-プロペニルフェニル酢酸(2-プロペニル)アリルフェニルアセテ-トFEMA 2039Allyl 2-phenylacetateAllylPhenylacetate>2-propenylphenylacetateALLYL PHENYLACETATE 99+%phenyl-aceticaciallylesterAllyl phenylacetate(kosher)
EINECS 217-281-23D2NBC7K7QBRN 1867491AI3-22225prop-2-en-1-yl 2-phenylacetateNSC-6574ALLYL .ALPHA.-TOLUATEDTXSID8061977
データベース識別子
- CAS
1797-74-6
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 26.3 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
- 5
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 169
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.033-1.041
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
239.00 to 240.00 °C. @ 760.00 mm Hg
89-93 °C (3mm Hg)
Refractive Index1.5122 (13.5 °C)
Physical DescriptionColourless, slightly viscous liquid with a honey-like odour
物理化学的性質
- 沸点
- 239 · 239-240 °C(lit.)
- 比重(密度)
- 1.037 g/mL · 1.037 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.508(lit.)
- FEMA
- 2039 · 2039 | ALLYL PHENYLACETATE
- 闪点
- 230 °F · >230 °F
- 外見
- clear liquid
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1574 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Benzeneacetic acid, 2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Aliphatic allyl esters: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (ingestion) - category 3
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AJ2450000
- 毒性
- The acute oral LD50 value in rats was reported as 0.65 g/kg and the acute dermal LD50 value in rabbits as >0.31 g/kg
- hs_code
- 29163990
- risk_code
- 20/21/22-36/37/38
- 消防法
- 危-4-3-III
- hazard_code
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, 2-propen-1-yl ester: ACTIVE
応用分野
天然物の起源Has apparently not been reported to occur in nature
使用Allyl Phenylacetate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid with a fruity odor of banana and honey. it should be stored in glass or tin containers. it is used in flavors for honey and has application in candy and baked goods at 10–15 ppm. Allyl Phenylacetate is used in flavor compositions as a modifier with other Phenylacetates in imitation Pineapple, Honey and various fruit or Rum flavors. Concentration up to 40 ppm in baked goods (finished prod.). Its honey-like aroma is also utilized in tobacco flavoring.
調製方法
製造方法By direct esterification in benzene solution
上流・下流製品情報
上流原料
サプライヤー74 社
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…