Basic information
- CAS
3738-00-9- Standard SMILES
CC1(C)CCCC2(C)C1CCC1(C)OCCC12- InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- Cetalox
- IUPAC
- 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
- English name
- AMBROX DL
- Molecular formula
- C16H28O
- Molecular weight
- 236.39
Names & synonyms
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
Show more names
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
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
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
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 273.9 · 273.9±8.0 °C(Predicted)
- Density
- 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
- FLAVIS Number
- 13.072 · 13.072 | 1,5,5,9-Tetramethyl-13-oxatricyclo [8.3.0.0.(4.9)]tridecane
- Odor
- 10 % · at 10.00 % in dipropylene glycol. dry woody amber ambergris musk sweet
Safety & regulation
GHS classification
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.
Hazard information
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
Regulatory information
Regulatory Information
Chemical: Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-tetramethyl-
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
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
Applications
OccurrenceReported found in clary sage oil.
UsesThis 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.
General DescriptionAMBROX 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.
Related reactions
5 records
Compound notes
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