Basic information
- CAS
17597-95-4- Standard SMILES
CCCCCCOCC(OC)OC- InChIKey
LIVMHHPZBYEKCU-UHFFFAOYSA-N- Molecular formula
- C10H22O3
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.15689456
Names & identifiers
- Preferred name
- Hexane, 1-(2,2-dimethoxyethoxy)-
- IUPAC
- 1-(2,2-dimethoxyethoxy)hexane
- English name
- 1-(2,2-dimethoxyethoxy)hexane
- Molecular formula
- C10H22O3
- Molecular weight
- 190.28
Names & synonyms
1-(2,2-Dimethoxyethoxy)hexaneHexane, 1-(2,2-dimethoxyethoxy)-Hexoxyacetaldehyde dimethyl acetalHexoxy dimethyl acetalHexoxyacetaldehyde dimethylacetal2-Hexoxyacetaldehyde dimethylacetalEINECS 241-563-42-Hexoxyacetaldehyde dimethyl acetalAI3-28733Acetaldehyde, (hexyloxy)-, dimethyl acetalDTXSID30662172-Hexoxy acetaldehyde dimethyl acetal
Show more names
1-(2,2-Dimethoxyethoxy)hexanHEXOXYACETALDEHYDEDIMETHYLACETAL2-HEXOXYACETALDEHYDEDIMETHYLACETAL
.beta.-Hexoxyacetaldehyde dimethylacetalRefChem:146116DTXCID4035592beta-Hexoxyacetaldehyde dimethylacetal241-563-4LIVMHHPZBYEKCU-UHFFFAOYSA-N17597-95-4SCHEMBL3504252
Database identifiers
- CAS
17597-95-4- PubChem CID
- 87166
- DTXSID
DTXSID3066217- EC Number
- 241-563-4
- Nikkaji
- J36.589K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 92.2
Physicochemical properties
- Boiling point
- 265.8 °C · 265.8°C (rough estimate)
- Density
- 0.9979 · 0.9979 (rough estimate)
- refractive index
- 1.426 · 1.4260 (estimate)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh green leafy sweet floral fruity
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.256 · 2.256 (est)
- EPA Substance Registry System
- 1 · Hexane, 1-(2,2-dimethoxyethoxy)- (17597-95-4)
- 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.
Hazard information
Regulatory Information
Chemical: Hexane, 1-(2,2-dimethoxyethoxy)-
Hexane, 1-(2,2-dimethoxyethoxy)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexane, 1-(2,2-dimethoxyethoxy)-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 1-(2,2-dimethoxyethoxy)-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…