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1,1-Dimethoxyheptane
Dangerous GoodsCAS number：10032-05-0 molecular formula：C9H20O2
overview
Specs
| Chinese alias | 庚醛二甲基缩醛 | ||
| English alias | 1,1-Dimethoxyheptane | 1,1-dimethoxy-heptane | Heptanal, dimethyl acetal | UNII-RMC47KWZ4J | Heptane, 1,1-dimethoxy- | n-Heptanal dimethyl acetal | AI3-36020 | FEMA No. 2541 | Q27288188 | DTXSID0064919 | FT-0626918 | RMC47KWZ4J | SCHEMBL531229 | AS-79916 | ||
| CAS number | 10032-05-0 | molecular formula | C9H20O2 |
| molecular weight | 160.25 g/mol | Exact mass | ≥95% |
| PSA | 18.500 Ų | logp | 3.000 |
numbering system
| CAS | 10032-05-0 |
| UNII | RMC47KWZ4J |
| HMDB ID | HMDB0040432 |
| ChEBI ID | 178229 |
| Wikidata | Q27288188 |
| FEMA Number | 2541 |
| PubChem CID | 61453 |
| JECFA Number | 947 |
| Nikkaji Number | J129.300A |
| DSSTox Substance ID | DTXSID0064919 |
| Metabolomics Workbench ID | 49040 |
| European Community (EC) Number | 233-103-6 |
| PubChem Reference Collection SID | 505779372 |
| MEP ID | _25Q1B3FMO |
physicochemical properties
| XLogP3 | XLogP3-AA: 3 |
| Density | 0.844-0.849 |
| Complexity | 70 |
| Exact Mass | 160.146329876 |
| Fragrances | Fragrance Ingredient (Heptanal dimethyl acetal) -> IFRA transparency List |
| Solubility | miscible at room temperature (in ethanol) |
| Boiling Point | 81.00 °C. @ 30.00 mm Hg |
| Formal Charge | 0 |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 11 |
| Molecular Weight | 160.25 |
| Refractive Index | 1.405-1.415 |
| Monoisotopic Mass | 160.146329876 |
| Isotope Atom Count | 0 |
| Physical Description | colourless oily liquid with a green, herbaceous, somewhat nutty odour |
| Rotatable Bond Count | 7 |
| Kovats Retention Index | Standard polar: 1261 |
| 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
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Heptane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information：
Chemical Assessment: IMAP assessments - Heptane, 1,1-dimethoxy-: Environment tier I assessment
Hazard Classes and Categories：
Eye Irrit. 2 (73.9%)
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
