Basic information
- CAS
32122-11-5- Standard SMILES
COC(=O)c1ccc(OCc2ccccc2)cc1- InChIKey
ZLLQTDQOTFCCDF-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.09429431
Names & identifiers
- Preferred name
- Methyl 4-(benzyloxy)benzoate
- IUPAC
- methyl 4-phenylmethoxybenzoate
- English name
- METHYL 4-BENZYLOXYBENZOATE
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
methyl 4-(benzyloxy)benzoateRefChem:815991636-518-4Methyl 4-benzyloxybenzoate32122-11-54-Benzyloxybenzoic acid methyl estermethyl 4-phenylmethoxybenzoateMFCD00017613Methyl-4-(benzyloxy)benzoatemethyl 4-(phenylmethoxy)benzoate4-benzyloxy-benzoic acid methyl esterNSC173137
Show more names
LABOTEST-BB LT004556804-benzyloxymethyl benzoateMETHYL 4-BENZYLOXYBENZONATEMethyl4-Benzyloxybenzoate>methyl 4-phenylmethoxybenzoate
methyl 4-(benzyloxy)benzenecarboxylateMethyl-4-benzyloxybenzoatemethyl4-(benzyloxy)benzoateSCHEMBL978502RARECHEM AL BF 0087CHEMBL32781092-methyl-4-phenylmethoxybenzoateDTXSID90306003
Database identifiers
- CAS
32122-11-5- PubChem CID
- 299810
- DTXSID
DTXSID90306003- ChEMBL
CHEMBL3278109- EC Number
- 636-518-4
- Nikkaji
- J876.705J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 99 °C · 99°C
- Boiling point
- 372.5 · 372.5±17.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Acetone
- form
- powder to crystal
- color
- White to Almost white
- λmax
- 257 nm · 257nm(MeOH)(lit.)
- BRN
- 2119212 · 2119212
- CAS DataBase Reference
- 32122 · 32122-11-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H400-H372
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
Safety data
- ridadr
- 3077
- hs_code
- 29420000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335-H400-H372
- Precautionary statements
- P261-P264-P273-P280-P304+P340+P312-P391
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers75 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]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
32 records
Compound notes
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