基本情報
- CAS
89-74-7- 標準SMILES
CC(=O)c1ccc(C)cc1C- InChIKey
HSDSKVWQTONQBJ-UHFFFAOYSA-N- 分子式
- C10H12O
- 平均分子量
- 148.2 g/mol
- 単同位体質量
- 148.088815
概要
2',4'-Dimethylacetophenone is an aromatic ketone.
名称と識別子
- 優先名称
- 2,4-Dimethylacetophenone
- IUPAC
- 1-(2,4-dimethylphenyl)ethanone
- 現地名
- 2',4'-ジメチルアセトフェノン
- 英語名
- 2',4'-Dimethylacetophenone
- 分子式
- C10H12O
- 分子量
- 148.2
名称と別名
2',4'-Dimethylacetophenone89-74-72,4-DimethylacetophenoneAcetyl-m-xyleneEthanone, 1-(2,4-dimethylphenyl)-1-(2,4-Dimethylphenyl)ethan-1-oneAcetophenone, 2',4'-dimethyl-FEMA No. 2387Methyl 2,4-dimethylphenyl ketone8K29ME27YAEINECS 201-935-9NSC 15333
名称をさらに表示
2',4'-ジメチルアセトフェノン1-(2,4-ジメチルフェニル)エタノン4-アセチル-m-キシレン2′,4′-ジメチルアセトフェノン2,4-ジメチル-α-メチルベンズアルデヒド1-(2,4-ジメチルフェニル)エタン-1-オン1-(2,4-dimethylphenyl)-EthanoneFEMA 2387ASISCHEM D292574-ACETYL-M-XYLENE4-Acetyl-m-xyletnDiMethylacetophenonePiribedil Impurity 20
NSC-15333AI3-208012,4-DIMETHYLACETOPHENONE [FHFI]RefChem:443769Methyl 2,4 dimethylphenyl ketone201-935-91-(2,4-DIMETHYLPHENYL)ETHANONE2,4-dimethylacetophenon
データベース識別子
- CAS
89-74-7
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 17.1 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
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 151
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-0.999
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
117.00 to 118.00 °C. @ 18.00 mm Hg
228 °C
Refractive Index1.532-1.536
Physical Descriptioncolourless to slightly yellow oily liquid with a sweet, floral, woody, minty odour
物理化学的性質
- 融点
- 22.95 °C · 22.95°C
- 沸点
- 117 · 117-118 °C18 mm Hg(lit.)
- 比重(密度)
- 0.997 g/mL · 0.997 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 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-(2,4-dimethylphenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2,4-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29143990
- risk_code
- 36-20/22
- 消防法
- 危-4-3-III
- hazard_code
- Xn,Xi
- hazard_note
- Irritant/Harmful
- safety_code
- 39-26-24/25
- 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
Use Classification
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 InformationEthanone, 1-(2,4-dimethylphenyl)-: INACTIVE
応用分野
天然物の起源Reported found in cinnamon bark, wine, tea, watercress and dried bonito.
調製方法
製造方法By condensation of acetylchloride and m-xylene in the presence of aluminum chloride or in the presence of ferric chloride
上流・下流製品情報
上流原料
下流製品
関連反応
3 件
化合物ノート
読み込み中…