基本情報
- CAS
3558-60-9- 標準SMILES
COCCc1ccccc1- InChIKey
CQLYXIUHVFRXLT-UHFFFAOYSA-N- 分子式
- C9H12O
- 平均分子量
- 136.19 g/mol
- 単同位体質量
- 136.088815
概要
(2-Methoxyethyl)benzene is a member of benzenes.
名称と識別子
- 優先名称
- Methyl phenethyl ether
- IUPAC
- 2-methoxyethylbenzene
- 現地名
- 2-フェニルエチル メチル エーテル
- 英語名
- (2-Methoxyethyl)benzene
- 分子式
- C9H12O
- 分子量
- 136.19
名称と別名
(2-Methoxyethyl)benzene3558-60-9Methyl phenethyl ether2-Phenylethyl methyl etherPhenylethyl methyl etherBenzene, (2-methoxyethyl)-Kewda etherMethyl phenylethyl etherMethyl phenethyl oxideKedwa etherETHER, METHYL PHENETHYLMethyl 2-phenethyl ether
名称をさらに表示
2-フェニルエチル メチル エーテル1-フェニル-2-メトキシエタンメチルフェネチルオキシドβ-フェニルエチルメチルエーテルケウダエーテルフェネチルメチルエーテル(2-フェニルエチル)(メチル)エーテルメチル(フェネチル)エーテルメチル(2-フェニルエチル)エーテルメチルフェネチルエーテル1-メトキシ-2-フェニルエタン(2-メトキシエチル)ベンゼンフェネチル(メチル)エーテルメチルフェニルエチルエ-テル2-フェニルエチルメチルエーテルフェニルエチルメチルエーテルPHENYL ETHYL METHYL ETHERFEMA 31982-MethoxyethylbenzenekewdaetherMetoprolol IMpurity Wmethyl2-phenethylether
1-Methoxy-2-phenylethanePhenethyl methyl etherchrysanthemum oxide2-Phenethyl methyl etherFEMA No. 3198NSC 81229EINECS 222-619-7BRN 1857538
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 74.8
実験および物理化学的性質
FragrancesFragrance Ingredient (Methyl phenethyl ether) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.945-0.951
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
Insoluble in water; soluble in oils
soluble (in ethanol)
Boiling Point
185.00 to 187.00 °C. @ 760.00 mm Hg
185-187 °C
Refractive Index1.497-1.501
Physical Description
Liquid
colourless mobile liquid, powerful, diffusive and penetrating aroma with a warm floral note
物理化学的性質
- 沸点
- 190 °C · 190 °C
- 比重(密度)
- 0.95 · 0.95
- 蒸気圧
- 66.7 Pa · 66.7Pa at 25℃
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 94.8% (1501 of 1583) of all reports.
Not Classified
Aggregated GHS information provided per 1583 reports by companies from 9 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzene, (2-methoxyethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (2-methoxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (2-methoxyethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: (2-methoxyethyl)benzene (EC: 222-619-7)
Benzene, (2-methoxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- rtecs
- KO2230000
- hs_code
- 29093090
- 化審法
- (3)-1035
- 消防法
- 危-4-3-III
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
U.S. Production2023: 28,468 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 1 consumer products that contain Methyl Phenethyl Ether in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzene, (2-methoxyethyl)-: ACTIVE
応用分野
説明Methyl phenethyl ether has a powerful diffusive and penetrating odor with a warm, floral note. It is "grassy" and pungent on dilution. May be prepared by catalytic reduction of phenylacetaldehyde dimethyl acetal; from phenylethyl alcohol and methanol.
天然物の起源Reported as occurring in Pandanus odoratissimus and in the oil of Tagetes signata and Scotch spearmint oil; also in litchi
使用Phenylethyl methyl ether is a volatile compound that can be found in Litchi wine (and Litchi fruit) during winemaking. Phenylethyl methyl ether is also an additive to perfumes, detergents and soaps.
関連反応
6 件
化合物ノート
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