Allyl isovalerate
TL;DR: Allyl isovalerate (CAS 2835-39-4) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-methylbutanoate
Also Known As: ALLYL ISOVALERATE, Allyl isopentanoate, Allyl 3-methylbutanoate, Allyl isovalerianate, 2-Propenyl isovalerate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| Boiling Point | 152.3 °C at 729 mmHg |
| Density | 0.882 at 23.9 °C - Less dense than water; will float |
| Solubility | less than 0.1 mg/mL at 61.7 °F (NTP, 1992) |
| Flash Point | 39.7 °C |
| Vapor Pressure | 13 mmHg at 22.0 °C ; 16.8 mmHg at 30.0 °C |
| Refractive Index | 1.4162 @ 21 °C |
Chemical Identifiers
| CAS Number | 2835-39-4 |
|---|---|
| SMILES | CC(C)CC(=O)OCC=C |
| InChIKey | HOMAGVUCNZNWBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl isovalerate (CAS 2835-39-4), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: prop-2-enyl 3-methylbutanoate.
Chemical Property Profile of Allyl isovalerate
Property Insights of Allyl isovalerate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl isovalerate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allyl isovalerate?
The CAS number of Allyl isovalerate is 2835-39-4.
What is the molecular formula of Allyl isovalerate?
The molecular formula of Allyl isovalerate is C8H14O2.
What is the molecular weight of Allyl isovalerate?
The molecular weight of Allyl isovalerate is 142.10 g/mol.
Where can I buy Allyl isovalerate?
You can request a quote for Allyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Allyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.