HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3-Dimethylglutaric anhydride
4,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione · 2H-Pyran-2,6(3H)-dione, dihydro-4,4-diMethyl- · GEPI-005 · MONO-002 · 4,4-dimethyloxane-2,6-dione · 3,3-Dimethyladipic anhydride · 3,3-Dimethylglutaric anhydride · 3,3'-DIMETHYL GLUTARIC ANHYDRIDE
Identifiers & Physical Properties
| CAS No. | 4160-82-1 |
|---|---|
| Molecular formula | C7H10O3 |
| Average molar mass | 142.15 g/mol |
| Monoisotopic mass | 142.06299418 g/mol |
| SMILES | CC1(C)CC(=O)OC(=O)C1 |
| InChIKey | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| PubChem CID | 77813 |
| EC No. | 223-998-1 |
| DTXSID | DTXSID4063327 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 163 |
| Melting point | 124-126 °C (lit.) |
| Boiling point | 181 °C/25 mmHg (lit.) |
| Density | 1.1643 (rough estimate) |
| Refractive index | 1.4730 (estimate) |
| Flash point | 181°C/25mm |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | Crystalline Powder |
| Color | White to off-white |
| Sensitivity | Moisture Sensitive |
| InChI | InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3 |
| InChIKey | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=O)CC(C)(C)C1 |
| CAS DataBase Reference | 4160-82-1(CAS DataBase Reference) |
| FDA UNII | U3BON0TR03 |
| EPA Substance Registry System | 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl- (4160-82-1) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39-36 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29171990 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29171990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
3,3-Dimethylglutaric Anhydride acts as a reagent for the synthesis of piscidinol A derivatives and their ability to inhibit HIV-1 protease.