基本情報
- CAS
10031-96-6- 標準SMILES
C=CCc1ccc(OC=O)c(OC)c1- InChIKey
JUTKIGGQRLHTJN-UHFFFAOYSA-N- 分子式
- C11H12O3
- 平均分子量
- 192.21 g/mol
- 単同位体質量
- 192.07864424
概要
Eugenyl formate is a member of methoxybenzenes.
名称と識別子
- 優先名称
- Eugenyl formate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) formate
- 現地名
- ぎ酸2-メトキシ-4-(2-プロペニル)フェニル
- 英語名
- 4-allyl-2-methoxyphenyl formate
- 分子式
- C11H12O3
- 分子量
- 192.21
名称と別名
EUGENYL FORMATE4-Allyl-2-methoxyphenyl formateEugenol formate4-Allyl-2-methoxyphenol formateFEMA No. 2473FEMA Number 2473Phenol, 4-allyl-2-methoxy-, formate4-(2-Propenyl)-2-methoxyphenyl formateEINECS 233-099-64-(2-Propen-1-yl)-2-methoxyphenyl formatePhenol, 2-methoxy-4-(2-propenyl)-, formateHSDB 2503
名称をさらに表示
ぎ酸2-メトキシ-4-(2-プロペニル)フェニルぎ酸2-メトキシ-4-アリルフェニル4-アリル-2-メトキシフェノールホルマートぎ酸オイゲニル2-メトキシ-4-(プロパ-2-エン-1-イル)フェニル ホルマートEUGENYLFORMATEEugenylformiat4-Allyl-2-methoxyphenylformiat(2-methoxy-4-prop-2-enylphenyl) formateFormic acid 2-methoxy-4-allylphenyl esterPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-formateFormic acid 2-methoxy-4-(2-propenyl)phenyl ester
2-Methoxy-4-(2-propenyl)phenyl formateUNII-USW3U3L49GUSW3U3L49GBRN 32700152-methoxy-4-(prop-2-en-1-yl)phenyl formatePhenol, 4-allyl-2-methoxy-, formate (ester)EUGENYL FORMATE [FHFI]EUGENYL FORMATE [HSDB]
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 35.5 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
- 5
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
Chemical ClassesOther Classes -> Other Organic Compounds
pHACID VALUE: 0.9 MAX
OdorODOR REMINISCENT OF ORRIS
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.1050-1.1090 @ 15 °C
1.115-1.125
Flavoring AgentsEU Flavoring substances
Solubility
SOL 1:2-3.5 IN 80% ALCOHOL
Insoluble in water; Soluble in oils
Soluble (in ethanol)
Boiling Point
270 °C
270.00 °C. @ 760.00 mm Hg
270 °C
Vapor Pressure0.00472 [mmHg]
Refractive Index
INDEX OF REFRACTION: 1.5240-1.5265 @ 20 °C
1.524-1.526
Physical DescriptionColourless to pale-yellowish oily liquid; Warm, woody, dry aroma
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 2 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: Phenol, 2-methoxy-4-(2-propenyl)-, formate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 2-methoxy-4-(2-propenyl)-, formate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Mild irritant in rabbit eye; [RTECS] Emergency treatment: Eugenol; [HSDB] See Eugenol.
FDA Requirements
Eugenyl formate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全と保護具
Disposal Methods
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Uses
Used as a flavor ingredient in condiments; [HSDB]
IN CONDIMENTS
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information...OFTEN USED IN COMBINATION WITH METHYLIONONES TO YIELD ORRIS-LIKE NOTES.
応用分野
使用Eugenyl formate is occasionally used in perfume formulations when variations in the conventional spice theme are desirable. It blends well with the woody notes, but not so attractively with the floral types. Eugenyl forrnate finds a little use in flavor compositions as part of various types of spice blends.
上流・下流製品情報
上流原料
サプライヤー3 社
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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