Neopentyl alcohol
TL;DR: Neopentyl alcohol (CAS 75-84-3) is a chemical compound with molecular formula C5H12O and molecular weight 88.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylpropan-1-ol
Also Known As: NEOPENTYL ALCOHOL, 2,2-Dimethyl-1-propanol, 2,2-dimethylpropan-1-ol, Neoamyl alcohol, Neopentanol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O |
| Molecular Weight | 88.08881 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.08881 Da |
| Heavy Atoms | 6 |
| Complexity | 33.0 |
| Melting Point | 53 °C |
| Boiling Point | 114 °C |
| Density | 0.812 @ 20 °C/4 °C |
| Flash Point | 98 °F (37 °C) (CLOSED CUP) |
| Vapor Pressure | 16.0 [mmHg] |
| Solubility | MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C |
| SMILES | CC(C)(C)CO |
| InChIKey | KPSSIOMAKSHJJG-UHFFFAOYSA-N |
Product Description
Applications: Neopentyl alcohol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Neopentyl alcohol (CAS 75-84-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Neopentyl alcohol (CAS 75-84-3) has the molecular formula C5H12O and a molecular weight of 88.09 g/mol. Reported properties include a density of 0.812 @ 20 °C/4 °C g/cm³, a solubility: MISCIBLE WITH ALC, ETHER; IN WATER: ABOUT 3.5% @ 25 °C. It is also known as NEOPENTYL ALCOHOL and 2,2-Dimethyl-1-propanol.
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 Neopentyl alcohol
Property Insights of Neopentyl alcohol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl alcohol. With a topological polar surface area (TPSA) of 20.2 Ų, Neopentyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentyl alcohol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Neopentyl alcohol?
The CAS number of Neopentyl alcohol is 75-84-3.
What is the molecular formula of Neopentyl alcohol?
The molecular formula of Neopentyl alcohol is C5H12O.
What is the molecular weight of Neopentyl alcohol?
The molecular weight of Neopentyl alcohol is 88.08881 g/mol.
What are the applications of Neopentyl alcohol?
Neopentyl alcohol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Neopentyl alcohol (CAS 75-84-3) with...
Where can I buy Neopentyl alcohol?
You can request a quote for Neopentyl alcohol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neopentyl alcohol?
Yes, CoreyChem provides custom synthesis services for Neopentyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.