Basic information
- CAS
70424-94-1- Standard SMILES
COC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
MAUSJTNDKNFSEU-UHFFFAOYSA-N- Molecular formula
- C29H26O5
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.17802393
Names & identifiers
- Preferred name
- Methyl 3,4,5-Tris(benzyloxy)benzoate
- IUPAC
- methyl 3,4,5-tris(phenylmethoxy)benzoate
- English name
- METHYL 3,4,5-TRIS(BENZYLOXY)BENZOATE
- Molecular formula
- C29H26O5
- Molecular weight
- 454.51
Names & synonyms
Methyl 3,4,5-Tris(benzyloxy)benzoate70424-94-1DTXSID50326202RefChem:1089357DTXCID00277316Methyl 3,4,5-Tribenzyloxybenzoatemethyl 3,4,5-tris(phenylmethoxy)benzoateMFCD03425302C29H26O53,4,5-Tris(benzyloxy)benzoic Acid Methyl Ester3,4,5-Tris(phenylmethoxy)benzoic Acid Methyl EsterSCHEMBL2338199
Show more names
NSC 525276METHYL TRIBENZYLGALLATEBenzoic acid, 3,4,5-tris(phenylmethoxy)-, methyl ester
3,4,5-Tribenzyloxybenzoic Acid Methyl EsterMethyl3,4,5-Tris(benzyloxy)benzoateCS-W011574DS-8659Methyl Tri-O-benzylgallate3,4,5-Tris(phenylmethoxy)benzoic Acid Methyl Ester; Methyl 3,4,5-Tribenzyloxybenzoate; Methyl Tri-O-benzylgallate; NSC 525276;NSC525276FT-0672292
Database identifiers
- CAS
70424-94-1- PubChem CID
- 352181
- DTXSID
DTXSID50326202- Nikkaji
- J432.656C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 98 °C · 98 °C
- Boiling point
- 584.5 · 584.5±40.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetone, Chloroform, Dichloromethane
- form
- Solid
- color
- White
- CAS DataBase Reference
- 70424 · 70424-94-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2918.29 · 2918.29.7500
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2918.29.7500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesIntermediate in the production of Gallic Acid derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers64 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
6 records
Compound notes
Loading…