Ethyl 2,4,7-decatrienoate (CAS 78417-28-4) — formula C12H18O2, molecular weight 194.13 g/mol.
| CAS Number | 78417-28-4 |
|---|---|
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13 g/mol |
| Boiling Point | 134 °C (14 mm Hg) |
| LogP | 3.3 |
Ethyl 2,4,7-decatrienoate is a chemical compound with CAS registry number 78417-28-4 and molecular formula C12H18O2 (molecular weight 194.13 g/mol).
CAS number: 78417-28-4
Its molecular formula C12H18O2 comprises 12 C, 18 H, 2 O atoms.
Also known as: Ethyl 2,4,7-decatrienoate · 2,4,7-癸三烯酸乙酯
The CAS registry number of Ethyl 2,4,7-decatrienoate is 78417-28-4.
Molecular formula C12H18O2, molecular weight 194.13 g/mol.
It is also registered under: Ethyl 2,4,7-decatrienoate, 2,4,7-癸三烯酸乙酯.
Independent reference data for Ethyl 2,4,7-decatrienoate (CAS 78417-28-4), compiled from public chemistry databases.
| CAS Registry Number | 78417-28-4 |
|---|---|
| PubChem CID | 3018771 |
| Molecular formula | C12H18O2 |
| Molecular weight | 194.13 g/mol |
| IUPAC name | ethyl deca-2,4,7-trienoate |
| InChIKey | KRCQDQXKPOKJOE-UHFFFAOYSA-N |
| UNII (FDA) | H59MQA278Y |
| FEMA number | 3832 |
| JECFA number | 1193 |
| Molecular Weight | 194.27 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 194.130679813 |
| Monoisotopic Mass | 194.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 134 °C (14 mm Hg) |
|---|---|
| Density | 0.933-0.939 |
| Refractive Index | 1.547-1.554 |
78417-28-4; Ethyl 2,4,7-decatrienoate; DTXSID30868478; 2,4,7-Decatrienoic acid, ethyl ester; RefChem:138524; FEMA NO. 3832; DTXCID80816580; ETHYL 2,4,7-DECATRIENOATE [FHFI]; 422-590-2; 638-984-4; FEMA 3832; H59MQA278Y; UNII-H59MQA278Y; ethyl deca-2,4,7-trienoate; SCHEMBL4411658; KRCQDQXKPOKJOE-UHFFFAOYSA-N
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 3.8% (1 / 26) |
| GHS notification summary | 3.8% (1 / 26) |
|---|---|
| Reported hazard statements | H317 (96.2%), H315, H400, H411 |
This chemical does not meet GHS hazard criteria for 3.8% (1 of 26) of reports.
H317 (96.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Ethyl 2,4,7-decatrienoate is identified by CAS 78417-28-4, molecular formula C12H18O2 and molecular weight 194.13 g/mol. UNII H59MQA278Y; InChIKey KRCQDQXKPOKJOE-UHFFFAOYSA-N. Boiling Point: 134 °C (14 mm Hg); Density: 0.933-0.939; Refractive Index: 1.547-1.554.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2,4,7-癸三烯酸乙酯