基本情報
- CAS
3738-00-9- 標準SMILES
CC1(C)CCCC2(C)C1CCC1(C)OCCC12- InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N- 分子式
- C16H28O
- 平均分子量
- 236.39 g/mol
- 単同位体質量
- 236.21401551
名称と識別子
- 優先名称
- Cetalox
- IUPAC
- 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
- 現地名
- ドデカヒドロ-3a,6,6,9a-テトラメチルナフト[2,1-b]フラン
- 英語名
- AMBROX DL
- 分子式
- C16H28O
- 分子量
- 236.39
名称と別名
Cetalox3738-00-9Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furanDTXSID2048119Dodecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furanNaphtho(2,1-b)furan, dodecahydro-3a,6,6,9a-tetramethyl-1,5,5,9-Tetramethyl-13-oxatricyclo (8.3.0.0.(4.9))tridecaneRefChem:417065DTXCID9028091223-118-6Amberlyn
名称をさらに表示
ドデカヒドロ-3a,6,6,9a-テトラメチルナフト[2,1-b]フラン3a,6,6,9a-テトラメチルドデカヒドロナフト[2,1-b]フラン3a,6,6,9a-テトラメチル-ドデカヒドロナフト[2,1-b]フランAmbermorCETALOX 922560AmbraoxideAMBERLYN 50Iridium etheramber naphthofuranAMBROX DL, FIRMENICH
AmbronideAmbroxane3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuranAMBROX DL3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-b]furanAmbrotech3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e]benzofuranTetramethyl-perhydronaphthofuran
データベース識別子
- CAS
3738-00-9、6790-58-5- PubChem CID
- 107166
- DTXSID
DTXSID2048119- ChEMBL
CHEMBL3728760- ChEBI
CHEBI:171882- EC Number
- 223-118-6
- Nikkaji
- J205.641K
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 9.2 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
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 321
実験および物理化学的性質
Solubility
Insoluble in water
soluble (in ethanol)
Boiling Point120.00 to 121.00 °C. @ 1.40 mm Hg
Melting Point75 - 76 °C
Physical Description
Liquid; CBI
Solid
White crystalline solid
Kovats Retention Index1765.6
物理化学的性質
- 融点
- 75 · 75-76 °C
- 沸点
- 273.9 · 273.9±8.0 °C(Predicted)
- 比重(密度)
- 0.939 · 0.939±0.06 g/cm3(Predicted)
- FEMA
- 3471 · 3471 | 1,5,5,9-TETRAMETHYL-13-OXATRICYCLO(8.3.0.0(4,9))TRIDECANE
- 臭い (Odor)
- 10 %。ドライ · ジプロピレングリコール中10.00%。ドライ ウッディ アンバー アンバーグリス ムスク スウィート
- においのタイプ
- アンバー
- JECFA Number
- 1240 · 1240
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 化粧品成分の機能
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 > 99.9% (1558 of 1559) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1558 of 1559 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1559 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1558 of 1559 reports by companies.；There is 1 notification provided by 1 of 1559 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-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)
Naphtho2,1-bfuran, dodecahydro-3a,6,6,9a-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
法規制情報
Regulatory Information
Chemical: Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-
化学と産業
薬理情報
Cellular LocationsExtracellular；Membrane
用途と製造
U.S. Production2023: 7,000,000 - <8,500,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Household ProductsInformation on 45 consumer products that contain Dodecahydro-Tetramethylnaphthofuran in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationNaphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-: ACTIVE
応用分野
天然物の起源Reported found in clary sage oil.
使用This ingredient provides warmth, richness and elegance to all areas of perfumery from sheer florals to modern ambers. Due to its power, best effects can be achieved at lower dosages, however, higher levels are often used to provide performance and substantivity.
一般的な説明AMBROX DL is an elegant amber-based fragrance note with rich woody characteristics. This substance is typically solid at room temperature and consists of a blend of approximately 30 per cent of the proprietary ingredient Cachalox® and 70 per cent Cetalox (9-epi-Ambrox). Owing to its long-lasting fragrance and high stability, it is frequently used in personal care products. It has also become the fragrance of choice for perfumes with pronounced woody undertones.
調製方法
関連反応
5 件
化合物ノート
読み込み中…