2-メトキシ-4-エチルフェノール
4-Ethylguaiacol
基本情報
- CAS
2785-89-9- 標準SMILES
CCc1ccc(O)c(OC)c1- InChIKey
CHWNEIVBYREQRF-UHFFFAOYSA-N- 分子式
- C9H12O2
- 平均分子量
- 152.19 g/mol
- 単同位体質量
- 152.08372962
概要
4-Ethyl-2-methoxyphenol is a member of phenols and a member of methoxybenzenes.
名称と識別子
- 優先名称
- 4-Ethylguaiacol
- IUPAC
- 4-ethyl-2-methoxyphenol
- 現地名
- 2-メトキシ-4-エチルフェノール
- 英語名
- 4-Ethyl-2-methoxyphenol
- 分子式
- C9H12O2
- 分子量
- 152.19
名称と別名
4-Ethyl-2-methoxyphenol2785-89-94-Ethylguaiacol2-Methoxy-4-ethylphenolp-EthylguaiacolPHENOL, 4-ETHYL-2-METHOXY-Guaiacol, 4-ethyl-4-Hydroxy-3-methoxyethylbenzeneDTXSID0047038FEMA No. 2436C9NFD83BJ5NSC-82313
名称をさらに表示
2-メトキシ-4-エチルフェノール4-エチルグアイヤコール4-エチル-2-メトキシフェノール4-エチルグアイアコールグアイアシルエタン4-エチルグアヤコール4-エチル-2-メトキシフェノール, 98%ETHYL GUAIACOLHOMOVANILLINFEMA 24364-Ethylquaiacol4-Ethyl-2-methoxyphenol (4-ethylguaiacol)Guaiacylethane
DTXCID8027038RefChem:522862220-500-4Guaiacyl ethaneHomocresol4-ethyl-2-methoxy-phenol4-Ethyl guiacol4-ethyl guaiacol
データベース識別子
- CAS
2785-89-9、29760-89-2- PubChem CID
- 62465
- DTXSID
DTXSID0047038- ChEMBL
CHEMBL3186900- ChEBI
CHEBI:179252- UNII
- C9NFD83BJ5
- EC Number
- 220-500-4
- Nikkaji
- J141.497F
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 29.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 114
実験および物理化学的性質
FragrancesFragrance Ingredient (4-Ethylguaiacol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.056-1.066
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; miscible in oils
miscible (in ethanol)
Boiling Point
235.00 to 236.00 °C. @ 760.00 mm Hg
229-235 °C
Melting Point-7 °C
Refractive Index1.524-1.534
Physical Description
Liquid
Colourless, oily liquid, warm, sweet, spicy, medicinal odour
物理化学的性質
- 融点
- 15 °C · 15 °C(lit.)
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 < 0.1% (1 of 1595) of reports.
Warning
H302 (93.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1595 reports by companies from 21 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, 4-ethyl-2-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Phenol, 4-ethyl-2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 4-ethyl-2-methoxy-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (93.1%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29071990
- risk_code
- 36/37/38-22
- 化審法
- (3)-635
- 消防法
- 危-4-3-III
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- hazard_class
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 4-ethyl-2-methoxy-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源Reported found in several distillates of plant origin; it was identified in camphor oil, and it had been reported previously in Tolu and Peru balsam as well as in various wood distillates. Also reported found in cinnamon, coffee, grape, brandy, malt, rum, soy sauce, whiskey, grapefruit juice, smoked fish, lean fish, beer, cognac, cider, grape wines and apple brandy.
使用4-Ethyl-2-methoxyphenol is used as smoke flavoring in the food industry and displays antioxidant activity due to its phenolic composition. It is also present in red grapes and in red wines.
一般的な説明4-Ethylguaiacol is a volatile compound, belonging to the class of phenols. It is identified as one of the key aroma components in commercial soy sauce, red wine, and apple cider. The unpleasant smoky, spicy, and clove-like aroma in wine is due to the presence of high concentrations of 4-Ethylguaiacol.
上流・下流製品情報
上流原料
関連反応
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