3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
TL;DR: 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate (CAS 78-37-5) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
Also Known As: Linalyl cinnamate, 3,7-Dimethylocta-1,6-dien-3-yl cinnamate, 3,7-Dimethylocta-1,6-dien-3-ylcinnamate, 3,7-dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate, Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H24O2 |
| Molecular Weight | 284.17764 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.17764 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C=CC1=CC=CC=C1)C |
| InChIKey | DPFUEXLIKDHJNB-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is a pharmaceutical intermediate identified by CAS number 78-37-5 and the molecular formula C19H24O2 and a molecular weight of 284.18 g/mol. Synonyms include Linalyl cinnamate and 3,7-Dimethylocta-1,6-dien-3-yl cinnamate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
Property Insights of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate
The XLogP value of 5.4 indicates that 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The CAS number of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is 78-37-5.
What is the molecular formula of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The molecular formula of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is C19H24O2.
What is the molecular weight of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
The molecular weight of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is 284.17764 g/mol.
What are the applications of 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
You can request a quote for 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethylocta-1,6-dien-3-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.