Basic information
- CAS
5455-94-7- Standard SMILES
CC1(C)CC(=O)C(C)(C)O1- InChIKey
HWFLEGUPVIFSJN-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2,2,5,5-Tetramethyltetrahydro-3-ketofuran
- IUPAC
- 2,2,5,5-tetramethyloxolan-3-one
- English name
- 2,2,5,5-Tetramethyltetrahydrofuran-3-one
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
5455-94-7Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone2,2,5,5-Tetramethyltetrahydro-3-ketofuran3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-DTXSID50202976NSC 5593RefChem:242922DTXCID80125467627-582-4HWFLEGUPVIFSJN-UHFFFAOYSA-N2,2,5,5-Tetramethyldihydrofuran-3(2H)-one2,2,5,5-Tetramethyltetrahydrofuran-3-One
Show more names
Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone 98%3-Oxo-2,2,5,5-tetramethyltetrahydrofuran, 2,2,5,5-Tetramethyloxolan-3-one
2,2,5,5-tetramethyloxolan-3-oneMFCD000096143(2H)-Furanone, dihydro-2,2,5,5-tetramethyl-2,2,5,5-tetramethyl-tetrahydro-furan-3-one2,2,5,5-Tetramethyldihydro-3(2H)-furanone2,2,5,5-tetramethyldihydrofuran-3-one2,2,5,5-tetramethyl-dihydro-furan-3-oneDihydro-2,2,5,5-tetramethyl-3(2H)furanone
Database identifiers
- CAS
5455-94-7- PubChem CID
- 138511
- DTXSID
DTXSID50202976- EC Number
- 627-582-4
- Nikkaji
- J81.037A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 42 · 42-43 °C11 mm Hg(lit.)
- Density
- 0.926 g/mL · 0.926 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.42(lit.)
- Flash point
- 103 °F · 103 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colorless
- InChI
- InChI=1S/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3
- InChIKey
- HWFLEGUPVIFSJN-UHFFFAOYSA-N
- SMILES
- O1C(C)(C)CC(=O)C1(C)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 225 · H225
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1224 3/PG 3
- hs_code
- 29321900
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-24/25
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Applications
UsesDihydro-2,2,5,5-tetramethyl-3(2H)-furanone may be used in chemical synthesis.
Upstream & downstream products
Downstream products
Suppliers69 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
36 records
Compound notes
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