Basic information
- CAS
54484-73-0- Standard SMILES
CCCCCCOC(C)OCC- InChIKey
YJYLJPSYBMNHTG-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Overview
Xi-1-Ethoxy-1-hexyloxyethane is an acetal.
Names & identifiers
- Preferred name
- Hexane, 1-(1-ethoxyethoxy)-
- IUPAC
- 1-(1-ethoxyethoxy)hexane
- English name
- 1-(1-ethoxyethoxy)hexane
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
1-(1-Ethoxyethoxy)hexane54484-73-0Ethyl hexyl acetalLilivertAcetaldehyde ethyl hexyl acetalHexane, 1-(1-ethoxyethoxy)-1-Ethoxy-1-hexyloxyethaneEINECS 259-184-8BRN 1698939DTXSID608664274-01-00-03107 (Beilstein Handbook Reference)RefChem:786314
Show more names
LILIVERT, BBA1-(1-Ethoxyethoxy)hexan
DTXCID70814712259-184-8xi-1-Ethoxy-1-hexyloxyethane1-ethoxy-1-(hexyloxy)ethaneearthy acetal1-ethoxy-1-hexoxyethaneSCHEMBL873415SCHEMBL4402646
Database identifiers
- CAS
54484-73-0- PubChem CID
- 108244
- DTXSID
DTXSID60866427- ChEBI
CHEBI:179047- EC Number
- 259-184-8
- Nikkaji
- J102.469H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 83.9
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Acetaldehyde ethyl hexyl acetal) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 245.28 °C · 245.28°C (rough estimate)
- Density
- 0.9048 · 0.9048 (rough estimate)
- refractive index
- 1.4095 · 1.4095 (estimate)
- FLAVIS Number
- 6.082 · 06.082 | 1-Ethoxy-1-hexyloxyethane
- Odor
- 10 % · at 10.00 % in dipropylene glycol. natural green floral earthy fungal
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.06 · 3.060 (est)
- EPA Substance Registry System
- 1 · Hexane, 1-(1-ethoxyethoxy)- (54484-73-0)
- 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% (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: Hexane, 1-(1-ethoxyethoxy)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hexane, 1-(1-ethoxyethoxy)-: 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
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationHexane, 1-(1-ethoxyethoxy)-: ACTIVE
Suppliers2 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Xi-1-Ethoxy-1-hexyloxyethane is an acetal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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