Citronellyl ethyl ether, (+-)-
Basic information
- CAS
69929-16-4- Standard SMILES
CCOCCC(C)CCC=C(C)C- InChIKey
AUAWLMMUJFEVCX-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- Citronellyl ethyl ether, (+-)-
- IUPAC
- 8-ethoxy-2,6-dimethyloct-2-ene
- English name
- 3,7-Dimethyl-6-octenyl ethyl ether
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
8-Ethoxy-2,6-dimethyloct-2-eneCitronellyl ethyl ether69929-16-43,7-Dimethyl-6-octenyl ethyl ether2-OCTENE, 8-ETHOXY-2,6-DIMETHYL-8-Ethoxy-2,6-dimethyloctene-2EINECS 274-222-3PIS093MX1VBRN 4369523DTXSID70524448-Ethoxy-2,6-dimethyl-2-octeneRefChem:577484
Show more names
CITRONET8-Ethoxy-2,6-dimethyloct-2-en8-ethoxy-2,6-dimethyl-2-octen
DTXCID9031016Citronellyl ethyl ether, (+-)-274-222-3Citronellyl ethyl ether, (+/-)-UNII-PIS093MX1Vdihydrocitronellyl ethyl etherSCHEMBL872688(+/-)-citronellyl ethyl ether
Database identifiers
- CAS
69929-16-4- PubChem CID
- 50941
- DTXSID
DTXSID7052444- UNII
- PIS093MX1V
- EC Number
- 274-222-3
- Nikkaji
- J65.658E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Citronellyl ethyl ether) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 258.3 °C · 258.3°C (rough estimate)
- Density
- 0.8693 · 0.8693 (rough estimate)
- refractive index
- 1.436 · 1.4360 (estimate)
- Odor
- 100 % · at 100.00 %. fresh clean rose citrus cologne floral
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.46 · 4.460 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 93 MX1V · PIS093MX1V
- EPA Substance Registry System
- 2 · 2-Octene, 8-ethoxy-2,6-dimethyl- (69929-16-4)
- 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: 2-Octene, 8-ethoxy-2,6-dimethyl-
2-Octene, 8-ethoxy-2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Octene, 8-ethoxy-2,6-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Octene, 8-ethoxy-2,6-dimethyl-: ACTIVE
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Compound notes
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