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2-Nonynoic acid, ethylester
CAS number：10031-92-2 molecular formula：C11H18O2
overview
Specs
| Chinese alias | - | ||
| English alias | Ethyl2-nonynoate; NSC 190985 | ||
| CAS number | 10031-92-2 | molecular formula | C11H18O2 |
| molecular weight | 182.2594 | Exact mass | - |
| PSA | - | logp | - |
numbering system
| CAS | 10031-92-2 |
| UNII | 853DED009T |
| HMDB ID | HMDB0036215 |
| ChEBI ID | 185864 |
| Wikidata | Q27269581 |
| NSC Number | NSC Number: NSC190985 |
| FEMA Number | 2448 |
| PubChem CID | 61451 |
| JECFA Number | 1352 |
| Nikkaji Number | J241.237C |
| DSSTox Substance ID | DTXSID5064918 |
| Lipid Maps ID (LM_ID) | LMFA07010879 |
| Metabolomics Workbench ID | 47273 |
| European Community (EC) Number | 233-098-0 |
| PubChem Reference Collection SID | 505592254 |
physicochemical properties
| XLogP3 | XLogP3-AA: 4.1 |
| Density | 0.901-0.907 |
| Complexity | 195 |
| Exact Mass | 182.130679813 |
| Fragrances | Fragrance substance (Esters of 2-Nonynoic acid (except Methyl octine carbonate)) -> IFRA amendment 43 |
| Solubility | Soluble (in ethanol) |
| Boiling Point | 121.00 to 122.00 °C. @ 13.00 mm Hg |
| Formal Charge | 0 |
| Food Additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 13 |
| Molecular Weight | 182.26 |
| Refractive Index | 1.450-1.456 |
| Monoisotopic Mass | 182.130679813 |
| Isotope Atom Count | 0 |
| Physical Description | Colourless oily liquid; Green, violet-like aroma |
| Rotatable Bond Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Topological Polar Surface Area | 26.3 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: 2-Nonynoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information：
Chemical Assessment: Evaluation - Octynoic and nonynoic acid esters
Hazard Classes and Categories：
STOT SE 3 (30.5%)
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
