Basic information
- CAS
5417-35-6- Standard SMILES
CC(C)C1OCC=CCO1- InChIKey
DMGDSBIHRJJUGP-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 4,7-Dihydro-2-isopropyl-1,3-dioxepin
- IUPAC
- 2-propan-2-yl-4,7-dihydro-1,3-dioxepine
- English name
- 4,7-dihydro-2-isopropyl-1,3-dioxepin
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
5417-35-64,7-Dihydro-2-isopropyl-1,3-dioxepinEINECS 226-518-9AI3-24670DTXSID10202518EC 226-518-91,3-Dioxepin, 4,7-dihydro-2-(1-methylethyl)-NSC 7412RefChem:508246DTXCID40125009226-518-92-isopropyl-4,7-dihydro-1,3-dioxepine
Show more names
2-propan-2-yl-4,7-dihydro-1,3-dioxepinePyridoxine Impurity 46/2-Isopropyl-4,7-dihydro-1,3-dioxepine
NSC-7412NSC74122-ISOPROPYL-4,7-DIHYDRO-1,3-DIOXEPIN2-(propan-2-yl)-4,7-dihydro-2H-1,3-dioxepine8UR4UDN7YWSCHEMBL4462479AKOS0062936042-isopropyl-4,7-dihydro-[1,3]dioxepine
Database identifiers
- CAS
5417-35-6- PubChem CID
- 79447
- DTXSID
DTXSID10202518- UNII
- 8UR4UDN7YW
- EC Number
- 226-518-9
- Nikkaji
- J69.908J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- FDA UNII
- 8 UR4UDN7YW · 8UR4UDN7YW
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
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, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4,7-dihydro-2-isopropyl-1,3-dioxepin (EC: 226-518-9)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
扬州千行化学科技有限公司18051976595 · [email protected]
江西瀚和制药有限公司13122341786 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
衡阳稼轩生物科技有限公司18684598761 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
1 records
Compound notes
Loading…