Basic information
- CAS
16230-29-8- Standard SMILES
CC1CCC2C(C)(C)C3CC12CCC3(C)O- InChIKey
SVURIXNDRWRAFU-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
Cedran-8-ol has been reported in Artemisia annua, Chamaecyparis obtusa var. formosana, and other organisms with data available.
Names & identifiers
- Preferred name
- Cedran-8-ol
- IUPAC
- 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Names & synonyms
16230-29-8Cedran-8-ol2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-olDTXSID703350332,6,6,8-tetramethyltricyclo(5.3.1.01,5)undecan-8-olRefChem:1081307DTXCID20286122Epicedrol(+)-Cedrol77-53-22,6,6,8-tetramethyltricyclo[5.3.1.0?,?]undecan-8-ol3,6,8,8-Tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
Show more names
2,6,6,8-tetramethyltricyclo[5.3.1.0(1),]undecan-8-olCedran-8-ol #1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-SCHEMBL107489CHEMBL4303418SVURIXNDRWRAFU-UHFFFAOYSA-NBBL018850MFCD00019040
Database identifiers
- CAS
16230-29-8、77-53-2- PubChem CID
- 522667
- DTXSID
DTXSID70335033- ChEMBL
CHEMBL4303418- EC Number
- 201-035-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical Description
Other Solid
Pale yellow to yellow green solid; Sweet fruity cedar-like aroma
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 0.1% (2 of 1823) of reports.
H411 (99.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1823 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,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)
REACH registered substance: [3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol (EC: 201-035-6)
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (99.8%)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 110,000 lb
Industry UsesFragrance
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Not Known or Reasonably Ascertainable
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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