8-Methoxycedrane
Basic information
- CAS
19870-74-7- Standard SMILES
CO[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C- InChIKey
HRGPYCVTDOECMG-WALBABNVSA-N- Molecular formula
- C16H28O
- Average molar mass
- 236.39 g/mol
- Monoisotopic mass
- 236.21401551
Names & identifiers
- Preferred name
- 8-Methoxycedrane
- IUPAC
- (1S,2R,5S,7R,8S)-8-methoxy-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane
- English name
- Methyl cedryl ether
- Molecular formula
- C16H28O
- Molecular weight
- 236.39
Names & synonyms
19870-74-7Cedrane, 8-methoxy-8-Methoxycedrane1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-4V8VL42TUGEINECS 243-384-7DTXSID30518381H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R-(3alpha,3abeta,6beta,7beta,8aalpha)-(3R,3AS,6S,7R,8AS)-OCTAHYDRO-6-METHOXY-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULENERefChem:548223DTXCID8030394Methyl cedryl ether
Show more names
CEDRAMBERCEDRYL METHYL ETHERcedrol methyl etherMethyl cypress etherCedryl formether(3R,3AS,6R,7R,8aS)Methyl CEDROL ether
(3R,3AS,6S,7R,8aS)-6-methoxy-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulene8-Methoxy Cedrane3abeta,6beta,7beta,8aalpha)]-lphUNII-4V8VL42TUGSCHEMBL1773862HRGPYCVTDOECMG-WALBABNVSA-NMFCD00216983AKOS015915076
Database identifiers
- CAS
19870-74-7- PubChem CID
- 88288
- DTXSID
DTXSID3051838- UNII
- 4V8VL42TUG
- EC Number
- 243-384-7
- Nikkaji
- J195.740F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Cedrol methyl ether) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 259 °C · 259°C
- Density
- 0.976 · 0.976
- refractive index
- 1.496 · 1.496
- Flash point
- 110 °C · >110°C
- storage temp.
- Sealed in dry,Room Temperature
- Odor
- 100 % · at 100.00 %. woody dry cedar ambergris earthy vetiver
- Odor Type
- woody
- Henry's Law Constant
- 2.5 · 2.5×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.3% (1712 of 1760) of all reports.
Not Classified
Aggregated GHS information provided per 1760 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,6.beta.,7.beta.,8a.alpha.)]-
1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)- 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)
1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335-H412
- Precautionary statements
- P261-P305+P351+P338-P273
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesOther
Industry UsesFragrance
Household ProductsInformation on 27 consumer products that contain Cedrol Methyl Ether in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-: ACTIVE
Applications
Usesused in the fragrance of perfume;used in cosmetic and toilet soap essences;used as solvent;used as intermediate in medicine production
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
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Compound notes
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