1-[(1,2,3,4,6,7,8,8a-オクタヒドロ-2,3,8,8-テトラメチルナフタレン)-2-イル]エタノン
1-(2,3,8,8-Tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
基本情報
- CAS
68155-67-9- 標準SMILES
CC(=O)C1(C)CC2C(=CCCC2(C)C)CC1C- InChIKey
YLWIXGWLTDBBHL-UHFFFAOYSA-N- 分子式
- C16H26O
- 平均分子量
- 234.38 g/mol
- 単同位体質量
- 234.19836545
名称と識別子
- 優先名称
- 1-(2,3,8,8-Tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
- IUPAC
- 1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone
- 現地名
- 1-[(1,2,3,4,6,7,8,8a-オクタヒドロ-2,3,8,8-テトラメチルナフタレン)-2-イル]エタノン
- 英語名
- 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one
- 分子式
- C16H26O
- 分子量
- 234.38
名称と別名
Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-EINECS 268-979-9Z578SE5DGN1-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one1-(2,3,8,8-tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanoneRefChem:4202982,3,8,8-TETRAMETHYL-2-ACETYL-1,2,3,4,6,7,8,8A-OCTAHYDRONAPHTHALENES68155-67-91-(2,3,8,8-tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethan-1-oneUNII-Z578SE5DGNSCHEMBL3109638DTXSID6041923
名称をさらに表示
1-[(1,2,3,4,6,7,8,8a-オクタヒドロ-2,3,8,8-テトラメチルナフタレン)-2-イル]エタノン1-（2，3，8，8-テトラメチル-1，2，3，4，6，7，8，8a-オクタヒドロナフタレン-2-イル）エタン-1-オンISO E SUPER IFF1-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-on1-[(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethylnaphthalen)-2-yl]ethanone
YLWIXGWLTDBBHL-UHFFFAOYSA-NNS00013073Q272950151-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone DISCONTINUED2,3,8,8-TETRAMETHYL-2- ACETYL-1,2,3,4,6,7,8,8A-OCTAHYDRONAPHTHALENES
データベース識別子
- CAS
68155-67-9- PubChem CID
- 109194
- DTXSID
DTXSID6041923- UNII
- Z578SE5DGN
- EC Number
- 268-979-9
- Nikkaji
- J317.371B
物性
構造計算による物性
- XLogP
- 3.7
- 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
- 17
- 形式電荷
- 0
- 複雑度
- 364
実験および物理化学的性質
FragrancesFragrance Ingredient (1-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthyl)ethan-1-one) -> IFRA transparency List
Physical DescriptionCBI; Liquid
物理化学的性質
- 沸点
- 311.4 · 311.4±31.0 °C(Predicted)
- 比重(密度)
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- 化粧品成分の機能
- 香料香料スキンコンディショニング - その他
- LogP
- 5.103 · 5.103 (est)
- EPAの化学物質情報
- 1 · Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- (68155-67-9)
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 18% (36 of 200) of reports.
Warning
H315 (79%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 200 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-
Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- 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)
Other Safety InformationIMAP assessments - Isomers of octahydro tetramethyl naphthalenyl ethanone (OTNE): Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (79%)
Skin sensitisation - category 1B
安全データ
- tsca
- TSCA listed
- 化審法
- 優先評価化学物質
化学と産業
用途と製造
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 134 consumer products that contain 1-(2,3,8,8-Tetramethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)ethanone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-: ACTIVE
応用分野
使用1-(1,2,3,4,6,7,8,8a-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone is used in perfumes.
補足説明
定義本品は、次の化学式で表される異性体の混合物である。
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