Dihydrocitronellol ethyl ether, (+-)-
Basic information
- CAS
22810-10-2- Standard SMILES
CCOCCC(C)CCCC(C)C- InChIKey
HCHHIPCZJSRFRT-UHFFFAOYSA-N- Molecular formula
- C12H26O
- Average molar mass
- 186.33 g/mol
- Monoisotopic mass
- 186.19836545
Names & identifiers
- Preferred name
- Dihydrocitronellol ethyl ether, (+-)-
- IUPAC
- 1-ethoxy-3,7-dimethyloctane
Names & synonyms
1-ethoxy-3,7-dimethyloctaneOctane, 1-ethoxy-3,7-dimethyl-22810-10-2526SFV7M3BEther, 3,7-dimethyloctyl ethylEINECS 245-237-2DTXSID60865071DIHYDROCITRONELLOL ETHYL ETHER, (RS)-RefChem:587713DTXCID30813524Dihydrocitronellol ethyl ether, (+-)-Dihydrocitronellol ethyl ether, (+/-)-
Show more names
3,7-Dimethyloctyl ethyl etherUNII-526SFV7M3BSCHEMBL1640425SCHEMBL6940464HCHHIPCZJSRFRT-UHFFFAOYSA-N(+/-)-dihydrocitronellol ethyl etherNS00005864Q27260969
Database identifiers
- CAS
22810-10-2- PubChem CID
- 90843
- DTXSID
DTXSID60865071- UNII
- 526SFV7M3B
- EC Number
- 245-237-2
- Nikkaji
- J286.316B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 99.3
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% (36 of 36) of all reports.
Not Classified
Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Ether, 3,7-dimethyloctyl ethyl
Other Safety InformationIMAP assessments - Ether, 3,7-dimethyloctyl ethyl: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctane, 1-ethoxy-3,7-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…