Basic information
- CAS
15795-56-9- Standard SMILES
COc1ccccc1C=C1C(=O)OC(C)(C)OC1=O- InChIKey
CNEJJACJHKSHJO-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- 5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(2-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C14H14O5
- Molecular weight
- 262.26
Names & synonyms
5-(2-Methoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[(2-methoxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-((2-METHOXYPHENYL)METHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONERefChem:529560661-145-915795-56-95-[(2-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC636627DTXSID50327173QAA79556MFCD001285561,3-Dioxane-4,6-dione, 5-[(2-methoxyphenyl)methylene]-2,2-dimethyl-
Show more names
AKOS003598359MS-7953NSC-636627CS-0324275F151245-(2-methoxybenzylidene)-2,2-dimethyl-1,3-di-oxane-4,6-dione
Database identifiers
- CAS
15795-56-9- PubChem CID
- 367158
- DTXSID
DTXSID50327173- EC Number
- 661-145-9
- Nikkaji
- J2.505.616G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 98 · 98-100 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 502 · 502.0±50.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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