4,9,12,12-Tetramethyl-5-oxatricyclo(8.2.0.04,6)dodecane
Basic information
- CAS
1209-61-6- Standard SMILES
CC1CCC2OC2(C)CCC2C1CC2(C)C- InChIKey
RBQQAPZKUGJMCR-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane is an organic molecular entity. It has a role as a fragrance.
Names & identifiers
- Preferred name
- 4,9,12,12-Tetramethyl-5-oxatricyclo(8.2.0.04,6)dodecane
- IUPAC
- 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
- English name
- 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
1209-61-64,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecaneDTXSID508625994,9,12,12-Tetramethyl-5-oxatricyclo(8.2.0.04,6)dodecane5-Oxatricyclo(8.2.0.04,6)dodecane, 4,9,12,12-tetramethyl-5-Oxatricyclo[8.2.0.04,6]dodecane, 4,9,12,12-tetramethyl-RefChem:1069597DTXCID60811336214-906-0EINECS 214-906-0tabacaroltabacdodecane
Show more names
tobacarol (IFF)4,9,12,12-tetramethyl-5,6-Epoxy-2,6,10,10-tetramethylbicyclo[7.2.0]undecane6]dodecane,4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.06]dodecane, 4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.05-Oxatricyclo8.2.0.04,6dodecane, 4,9,12,12-tetramethyl-6]dodecane, 4,9,12,12-tetramethyl-5-Oxatricyclo[8.2.0.04
tobacaroltobac dodecaneamber-spiceDihydroisocaryophyllene epoxideRBQQAPZKUGJMCR-UHFFFAOYSA-NSCHEMBL1472141CHEBI:234388NS00013237
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Dihydroisocaryophyllene epoxide) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Odor
- 10 % · at 10.00 % in dipropylene glycol. dusty amber woody nutmeg tobacco
- Odor Type
- woody
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.47 · 5.470
- EPA Substance Registry System
- 5 · 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,9,12,12-tetramethyl- (1209-61-6)
- TSCA
- TSCA listed
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 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,9,12,12-tetramethyl-
5-Oxatricyclo8.2.0.04,6dodecane, 4,9,12,12-tetramethyl-: 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
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information5-Oxatricyclo[8.2.0.04,6]dodecane, 4,9,12,12-tetramethyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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