compound introduction
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
1,1-Dimethoxyoctane
CAS number：10022-28-3 molecular formula：C10H22O2
overview
Specs
| Chinese alias | - | ||
| English alias | Octanal dimethyl acetal | ||
| CAS number | 10022-28-3 | molecular formula | C10H22O2 |
| molecular weight | 174.28 | Exact mass | - |
| PSA | - | logp | - |
numbering system
| CAS | 10022-28-3 |
| UNII | OD5I84ZHFV |
| HMDB ID | HMDB0040267 |
| ChEBI ID | 179045 |
| Wikidata | Q27285585 |
| FEMA Number | 2798 |
| PubChem CID | 61431 |
| JECFA Number | 942 |
| Nikkaji Number | J60.727D |
| DSSTox Substance ID | DTXSID1047520 |
| Metabolomics Workbench ID | 48953 |
| European Community (EC) Number | 233-018-4 |
| PubChem Reference Collection SID | 500714511 |
| MEP ID | _25Q1B3FLM |
physicochemical properties
| LogP | 3.854 |
| XLogP3 | XLogP3-AA: 3.5 |
| Density | 0.841-0.851 |
| Complexity | 79.9 |
| Exact Mass | 174.161979940 |
| Fragrances | Fragrance Ingredient (Octanal dimethyl acetal) -> IFRA transparency List |
| Solubility | miscible at room temperature (in ethanol) |
| Boiling Point | 185.00 to 188.00 °C. @ 760.00 mm Hg |
| Formal Charge | 0 |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 12 |
| Molecular Weight | 174.28 |
| Refractive Index | 1.410-1.420 |
| Monoisotopic Mass | 174.161979940 |
| Isotope Atom Count | 0 |
| Physical Description | colourless liquid with a green, woody, citrusy odour |
| Rotatable Bond Count | 8 |
| Kovats Retention Index | Standard polar: 1366 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 18.5 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Primary Hazards：
Not Classified
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Octane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Not Classified
Production methods and uses
purpose
Uses：
CPDat Function Use: cpdatfun
Use Classification：
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 0 shareMSDS
