基本情報
- CAS
67634-14-4- 標準SMILES
CCc1ccccc1CC(C)(C)C=O- InChIKey
ITJHALDCYCTNNJ-UHFFFAOYSA-N- 分子式
- C13H18O
- 平均分子量
- 190.28 g/mol
- 単同位体質量
- 190.1357652
名称と識別子
- 優先名称
- 3-(2-Ethylphenyl)-2,2-dimethylpropanal
- IUPAC
- 3-(2-ethylphenyl)-2,2-dimethylpropanal
- 現地名
- 2-エチル-α,α-ジメチルベンゼンプロパナール
- 英語名
- FLORALOZONE
- 分子式
- C13H18O
- 分子量
- 190.28
名称と別名
3-(2-ethylphenyl)-2,2-dimethylpropanal67634-14-4EINECS 266-818-710A7TH6XIDUNII-10A7TH6XIDBenzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-DTXSID8052358Benzenepropanal, 2-ethyl-alpha,alpha-dimethyl-2-ETHYL-.ALPHA.,.ALPHA.-DIMETHYLBENZENEPROPANALRefChem:921842-ethyl-alpha,alpha-dimethylbenzenepropanalDTXCID2030930
名称をさらに表示
2,2-ジメチル-3-(2-エチルフェニル)プロパナール2-エチル-α,α-ジメチルベンゼンプロパナールFLORALOZONE2-Ethyl-α,α-dimethylbenzenepropanal2,2-Dimethyl-3-(2-ethylphenyl)propanalBenzenepropanal, 2-ethyl-α,α-dimethyl-P-ETHYL-a,a-DIMETHYLDIHYDROCINNAMALDEHYDE2-ethyl-alpha,alpha-dimethyl-benzenepropana3-(4-ETHYL-PHENYL)-2,2-DIMETHYL-PROPIONALDEHYDE2-ethyl-.alpha.,.alpha.-dimethyl-Benzenepropanal
266-818-73-(o-Ethylphenyl)-2,2-dimethylpropionaldehydepara-Ethyl-alpha,alpha-dimethyl-hydrocinnamaldehydeSCHEMBL224916SCHEMBL29743365ITJHALDCYCTNNJ-UHFFFAOYSA-NNS00012455
データベース識別子
- CAS
67634-14-4- PubChem CID
- 105512
- DTXSID
DTXSID8052358- UNII
- 10A7TH6XID
- EC Number
- 266-818-7
- Nikkaji
- J333.249G
物性
構造計算による物性
- XLogP
- 3.5
- 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
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 184
実験および物理化学的性質
FragrancesFragrance Ingredient (3-(o-Ethylphenyl)-2,2-dimethylpropionaldehyde) -> IFRA transparency List
Physical DescriptionCBI; Liquid
物理化学的性質
- 沸点
- 262.1 · 262.1±9.0 °C(Predicted)
- 比重(密度)
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- 化粧品成分の機能
- 香料
- EPAの化学物質情報
- 2 · Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl- (67634-14-4)
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 82.8% (471 of 569) of all reports.
Warning
H315 (17.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 569 reports by companies from 8 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-
Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl- 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)
Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and CategoriesSkin Irrit. 2 (17.2%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 26 consumer products that contain 3-(O-Ethylphenyl)-2,2-Dimethylpropionaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Plastics Material and Resin Manufacturing
Benzenepropanal, 2-ethyl-.alpha.,.alpha.-dimethyl-: ACTIVE
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