Basic information
- CAS
35298-48-7- Standard SMILES
CC1(C)OC=CC1=O- InChIKey
HVNICCSXGONRCB-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 3(2H)-Furanone, 2,2-dimethyl-
- IUPAC
- 2,2-dimethylfuran-3-one
- English name
- 2,5-Dimethyl-3(2H)furanone
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
35298-48-72,2-Dimethyl-3(2H)-furanone3(2H)-Furanone, 2,2-dimethyl-DTXSID10188787RefChem:484762DTXCID70111278623-609-92,5-Dimethyl-3(2H)furanone2,2-dimethylfuran-3-one2,2-dimethylfuran-3(2h)-one2,2-dimethyl-2,3-dihydrofuran-3-one2,2-dimethyl-furan-3-one
Show more names
FEMA 4101Dimethylfuranone2,5-DIMETHYLFURAN-3(2H)-ONE2,2-DIMETHYL-3(2 H)-FURANONE2,2-Dimethyl-3(2H)-furanone 96%
dimethyl-3(2h)-furanoneSCHEMBL183127SCHEMBL27851176HVNICCSXGONRCB-UHFFFAOYSA-NMFCD00075050AKOS0159128012,2-Dimethyl-3(2H)-furanone, 96%CS-0092873
Database identifiers
- CAS
35298-48-7- PubChem CID
- 147604
- DTXSID
DTXSID10188787- EC Number
- 623-609-9
- Nikkaji
- J323.881D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 46 · 46-47 °C18 mm Hg(lit.)
- Density
- 1.027 g/mL · 1.027 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 125 °F · 125 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- InChI
- 1S/C6H8O2/c1-6(2)5(7)3-4-8-6/h3-4H,1-2H3
- InChIKey
- HVNICCSXGONRCB-UHFFFAOYSA-N
- SMILES
- CC1(C)OC=CC1=O
- CAS DataBase Reference
- 35298 · 35298-48-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn
- Risk Statements
- 10 · 10-43-36/38
- Safety Statements
- 16 · 16-27-36/37/39-37/39-26-24/25
- RIDADR
- 1224 · UN 1224 3/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
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 39 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
- risk_code
- 10-43-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn
- safety_code
- 16-27-36/37/39-37/39-26-24/25
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
Chemistry & industry
Applications
Uses2,2-Dimethyl-3(2H)-furanone was used in the synthesis of epoxides via epoxidation. It was also used in the preparation of racemic methyl nonactate.
General Description2,2-Dimethyl-3(2H)-furanone is an β-oxo enol ether. Conjugate addition of 2,2-dimethyl-3(2H)-furanone to organocuprates has been reported. Photoannelation of alkenes to 2,2-dimethyl-3(2H)-furanone yields cyclohexenone.
Upstream & downstream products
Downstream products
Suppliers29 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京艾瑞博生物科技有限公司19951442182 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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