基本情報
- CAS
101-48-4- 標準SMILES
COC(Cc1ccccc1)OC- InChIKey
WNJSKZBEWNVKGU-UHFFFAOYSA-N- 分子式
- C10H14O2
- 平均分子量
- 166.22 g/mol
- 単同位体質量
- 166.09937969
概要
1,1-Dimethoxy-2-phenylethane is a member of benzenes.
名称と識別子
- 優先名称
- Phenyl acetaldehyde dimethyl acetal
- IUPAC
- 2,2-dimethoxyethylbenzene
- 現地名
- フェニルアセトアルデヒドジメチルアセタール
- 英語名
- PHENYLACETALDEHYDE DIMETHYL ACETAL
- 分子式
- C10H14O2
- 分子量
- 166.22
名称と別名
101-48-4Phenylacetaldehyde dimethyl acetal(2,2-Dimethoxyethyl)benzeneViridineHyscylene P1,1-Dimethoxy-2-phenylethaneBENZENE, (2,2-DIMETHOXYETHYL)-PADMA2,2-Dimethoxy-1-phenylethanePhenacetaldehyde dimethyl acetalphenyl acetaldehyde dimethyl acetal2-Phenylacetaldehyde dimethyl acetal
名称をさらに表示
フェニルアセトアルデヒドジメチルアセタール2-フェニルアセトアルデヒドジメチルアセタール1,1-ジメトキシ-2-フェニルエタンベンゼンアセトアルデヒドジメチルアセタール1-(2,2-ジメトキシエチル)ベンゼン2,2-ジメトキシ-1-フェニルエタンヒシレンP(2,2-ジメトキシエチル)ベンゼンヒスシレンPFEMA 2876PADIMAhyscylenep2,2-DIMETHOXYETHYLBENZENE1,1-Dimethoxymethylbenzene(2,2-dimethoxyethyl)-benzen1,1-dimethoxy-2-phenyl-ethan
Phenylacetic aldehyde dimethyl acetalAcetaldehyde, phenyl-, dimethyl acetalalpha-Tolyl aldehyde dimethyl acetalFEMA No. 2876alpha-Tolylaldehyde dimethyl acetalEthane, 1,1-dimethoxy-2-phenyl-NSC 5174DTXSID3047001
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 18.5 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 104
実験および物理化学的性質
FragrancesFragrance Ingredient (Phenylacetaldehyde dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.000-1.006
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils, propylene glycol
1 mL in 2 mL 70% ethanol (in ethanol)
Boiling Point
219.00 to 221.00 °C. @ 754.00 mm Hg
219 °C
Refractive Index1.492-1.498
Physical Description
Liquid
Colourless liquid; powerful green-earthy, flower stem like odour
物理化学的性質
- 沸点
- 219 · 219-221 °C754 mm Hg(lit.)
- 比重(密度)
- 1.004 g/mL · 1.004 g/mL at 25 °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 1% (17 of 1706) of reports.
Warning
H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1706 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzene, (2,2-dimethoxyethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzene, (2,2-dimethoxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (2,2-dimethoxyethyl)- 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: 1,1-dimethoxy-2-phenylethane (EC: 202-945-6)
Phenylacetaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (92.9%)
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AB3040000
- 毒性
- LD50 orl-rat: 3500 mg/kg FCTXAV 13,681,75
- hs_code
- 29110000
- 化審法
- (3)-1153
- 消防法
- 危-4-3-III
- safety_code
- 23-24/25-S24/25-S23
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
U.S. Production2023: 8,554,797 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 20 consumer products that contain 1,1-Dimethoxy-2-phenylethane in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Benzene, (2,2-dimethoxyethyl)-: ACTIVE
応用分野
天然物の起源Reported found in cocoa and Bulgarian tobacco
調製方法
製造方法By the cold reaction of the corresponding aldehyde with methanol or with orthoformic ester in the presence of acid.
上流・下流製品情報
上流原料
関連反応
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