(2,2-Bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)benzene
Basic information
- CAS
67634-02-0- Standard SMILES
CC(C)=CCCC(C)=CCOC(Cc1ccccc1)OCC=C(C)CCC=C(C)C- InChIKey
KJTMVMCIPAJMOH-UHFFFAOYSA-N- Molecular formula
- C28H42O2
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.31848058
Names & identifiers
- Preferred name
- (2,2-Bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)benzene
- IUPAC
- 2,2-bis(3,7-dimethylocta-2,6-dienoxy)ethylbenzene
Names & synonyms
[2,2-Bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzeneDTXSID8052354Benzene, [2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]-Benzene, (2,2-bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)-(2,2-Bis((3,7-dimethyl-2,6-octadienyl)oxy)ethyl)benzeneRefChem:394343DTXCID8030926Benzene, 2,2-bis(3,7-dimethyl-2,6-octadienyl)oxyethyl-266-805-667634-02-02,2-bis(3,7-dimethylocta-2,6-dienoxy)ethylbenzeneSCHEMBL31344415
Show more names
KJTMVMCIPAJMOH-UHFFFAOYSA-N{2,2-bis[(3,7-dimethylocta-2,6-dien-1-yl)oxy]ethyl}benzenephenyl acetaldehyde digeranyl acetalNS00087858
Database identifiers
- CAS
67634-02-0- PubChem CID
- 81572
- DTXSID
DTXSID8052354- EC Number
- 266-805-6
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
FragrancesFragrance Ingredient ([2,2-Bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]benzene) -> IFRA transparency List
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzene, [2,2-bis[(3,7-dimethyl-2,6-octadienyl)oxy]ethyl]-
Benzene, [2,2-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]ethyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, [2,2-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]ethyl]- 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)
Benzene, 2,2-bis(3,7-dimethyl-2,6-octadienyl)oxyethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzene, [2,2-bis[(3,7-dimethyl-2,6-octadien-1-yl)oxy]ethyl]-: ACTIVE
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Related reactions
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Compound notes
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