compound introduction
结构在第一个来源中给出
All
Chemical Reagents
Biomedicine
Organic raw materials
Inorganic chemical industry
intermediate
Agricultural chemicals
Auxiliaries and catalysts
Fragrances and Flavors
Dyes and Pigments
Daily chemical industry
2,5-dimethyloxolane
CAS number：1003-38-9 molecular formula：C6H12O
overview
Specs
| Chinese alias | - | ||
| English alias | 2,5-dimethyl-tetrahydrofuran | ||
| CAS number | 1003-38-9 | molecular formula | C6H12O |
| molecular weight | 100.16 | Exact mass | - |
| PSA | 9.2 | logp | 1.2 |
numbering system
| CAS | 1003-38-9 |
| Wikidata | Q72472124 |
| NSC Number | NSC Number: NSC12594 |
| PubChem CID | 13855 |
| Nikkaji Number | J133.069A |
| DSSTox Substance ID | DTXSID10862510 |
| European Community (EC) Number | 213-707-6 |
| PubChem Reference Collection SID | 500726396 |
physicochemical properties
| XLogP3 | 1.2 |
| Solvents | Solvents -> Ethers (<C12) |
| Complexity | 53.2 |
| Exact Mass | 100.088815002 |
| Formal Charge | 0 |
| Flavoring Agents | EU Flavoring substances |
| Heavy Atom Count | 7 |
| Molecular Weight | 100.16 |
| Monoisotopic Mass | 100.088815002 |
| Isotope Atom Count | 0 |
| Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
| Rotatable Bond Count | 0 |
| Kovats Retention Index | Semi-standard non-polar: 727 |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 9.2 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Adverse Effects：
Neurotoxin - Acute solvent syndrome
Hazards Summary：
May form explosive peroxides; Stabilized with 250-300 ppm butylated hydroxytoluene (BHT); An irritant; Targets the CNS; [Alfa Aesar MSDS] See Tetrahydrofuran
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: 2,5-Dimethyltetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard
Peroxide Forming Chemical：
Additional Reference(s): https://doi.org/10.1021/jo01036a033
Hazard Classes and Categories：
Flam. Liq. 3 (93%)
Protective Action Criteria (PAC)：
PAC-3: 790 [mg/m3]
Production methods and uses
purpose
Sources/Uses: Used as a flavoring agent; [ExPub: EC: EFSA]
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
1003-38-9 | 2,5-Dimethyltetrahydrofuran, mixture of cisand trans.pdf
