4-(1-エトキシエテニル)-3,3,5,5-テトラメチルシクロヘキサノン
4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
基本情報
- CAS
36306-87-3- 標準SMILES
C=C(OCC)C1C(C)(C)CC(=O)CC1(C)C- InChIKey
YLNYLLVKHRZLGO-UHFFFAOYSA-N- 分子式
- C14H24O2
- 平均分子量
- 224.34 g/mol
- 単同位体質量
- 224.17763
名称と識別子
- 優先名称
- 4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
- IUPAC
- 4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
- 現地名
- 4-(1-エトキシエテニル)-3,3,5,5-テトラメチルシクロヘキサノン
- 英語名
- KEPHALIS
- 分子式
- C14H24O2
- 分子量
- 224.34
名称と別名
Kephalis4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanoneKephalorEINECS 252-961-23,3,5,5-Tetramethyl-4-(1-ethoxyvinyl)cyclohexanoneA27U1GP15P3,3,5,5-Tetramethyl-4-ethoxyvinylcyclohexanoneBRN 2258311Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-UNII-A27U1GP15P3,3,5,5-etramethyl-4-ethoxyvinylcyclohexanone
名称をさらに表示
4-(1-エトキシビニル)-3,3,5,5-テトラメチルシクロヘキサノン4-(1-エトキシエテニル)-3,3,5,5-テトラメチルシクロヘキサノンwoody cyclohexanoneAmbretherGarfield LuxKephalis 63780034-Ethoxyvinyl-3,3,5,5-tetramethylcyclohexanone4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanon
3,3,5,5-Tetramethyl-4-(1-ethoxyvinyl)-1-cyclohexanoneDTXSID6052039LRG-11824-(1-ETHOXYVINYL)-3,3,5,5-TETRAMETHYLCYCLOHEXAN-1-ONERefChem:96925DTXCID1030606252-961-236306-87-3
データベース識別子
- CAS
36306-87-3- PubChem CID
- 118292
- DTXSID
DTXSID6052039- ChEMBL
CHEMBL3727737- UNII
- A27U1GP15P
- EC Number
- 252-961-2
- Nikkaji
- J209.339A
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 26.3 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
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 280
実験および物理化学的性質
FragrancesFragrance Ingredient (3,3,5,5-Tetramethyl-4-ethoxyvinylcyclohexanone) -> IFRA transparency List
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 325.75 °C · 325.75°C (rough estimate)
- 比重(密度)
- 0.9717 · 0.9717 (rough estimate)
- 蒸気圧
- 0.46 Pa · 0.46Pa at 20℃
- 屈折率
- 1.478 · 1.4780 (estimate)
- 臭い (Odor)
- 100 %で。木質の古い木アンバータバコホットハーブ · 100.00%で。木質の古い木アンバータバコホットハーブ
- においのタイプ
- 木質の
- 水溶解度
- 51 mg/L · 51mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 4.3 at · 4.3 at 25℃
- EPAの化学物質情報
- 4 · Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl- (36306-87-3)
化学的性質
化学的特性KEPHALIS is not reported as being found in nature. It is a pale yellow liquid, bp0.3 kPa 80–82 °C, n15 D 1.4758, with a rich, warm, and long-lasting woody amber note. The title compound is the main component of a mixture that is obtained by cyclodimerization of mesityl oxide in the presence of boron trifluoride etherate and reaction with ethyl orthoformate. It is used in large proportions in almost every type of perfume composition.
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 16.5% (266 of 1612) of reports.
Warning
H315 (83.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1612 reports by companies from 4 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: Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-
Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl- 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: 4-(1-ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone (EC: 252-961-2)
Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (83.5%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 8,271,356 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 4 consumer products that contain Kephalis in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Cyclohexanone, 4-(1-ethoxyethenyl)-3,3,5,5-tetramethyl-: ACTIVE
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