| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| L157751-5ml | 5ml | 3 | $9.90 | |
| L157751-25ml | 25ml | 3 | $29.90 |
| Synonyms | Tox21_302590 | 1, 3,7-dimethyl-, propionate | BBL028020 | CAS-144-39-8 | DTXCID9027574 | FEMA No. 2645 | Linalyl n-propionate | 1,5-Dimethyl-1-vinyl-4-hexenyl propionate | Linalyl propanoate | Propionic acid, linalyl ester (6CI) | DTXSID1047574 | UNII-BI8 |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-yl propanoate |
|---|---|
| INCHI | InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3 |
| InChi Key | WAQIIHCCEMGYKP-UHFFFAOYSA-N |
| Canonical SMILES | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| Isomeric SMILES | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| RTECS | RG5927903 |
| Molecular Weight | 210.32 |
| Reaxy-Rn | 1709494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1709494&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2404736 | Certificate of Analysis | Dec 22, 2023 | L157751 |
| A2404737 | Certificate of Analysis | Dec 22, 2023 | L157751 |
| A2404744 | Certificate of Analysis | Dec 22, 2023 | L157751 |
| A2404745 | Certificate of Analysis | Dec 22, 2023 | L157751 |
| Refractive Index | 1.45 |
|---|---|
| Flash Point(°F) | 97°C(lit.) |
| Flash Point(°C) | 97°C(lit.) |
| Boil Point(°C) | 122°C/19mmHg(lit.) |
| Molecular Weight | 210.310 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 210.162 Da |
| Monoisotopic Mass | 210.162 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS09 |
|---|---|
| Hazard Statements | H411:Toxic to aquatic life with long lasting effects |
| Precautionary Statements | P273:Avoid release to the environment. P501:Dispose of contents/container to ... P391:Collect spillage. |
| RTECS | RG5927903 |
| Reaxy-Rn | 1709494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1709494&ln= |
| Appearance(L157751) | Colorless to Almost colorless clear liquid |
|---|---|
| Purity(GC) | 95-100（%） |
| NMR Spectrum 1H | Conforms to structure |
| Refractive index n20/D | 1.449-1.454 |
Starting at $28.90
Starting at $18.90
