Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester

HCID 91863
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Basic information

CAS
56442-22-9
Standard SMILES
O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIKey
BPLKDVGMXNZCQO-UHFFFAOYSA-N
Molecular formula
C21H18O3
Average molar mass
318.4 g/mol
Monoisotopic mass
318.12559443

Names & identifiers

Preferred name
Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester
IUPAC
benzyl 4-phenylmethoxybenzoate
English name
Benzyl 4-benzyloxybenzoate
Molecular formula
C21H18O3
Molecular weight
318.37

Names & synonyms

Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl esterRefChem:56593556442-22-9BENZYL 4-BENZYLOXYBENZOATEBenzyl p-(benzyloxy)benzoatebenzyl 4-(benzyloxy)benzoatebenzyl 4-phenylmethoxybenzoatephenylmethyl 4-(phenylmethoxy)benzoateMFCD000757714YU76GHP4ZNSC-1418374-benzyloxybenzoic acid benzyl ester
Show more names
p-Benzyloxybenzoic acid benzyl esterBenzoicacid,4-(phenylmethoxy)-,phenyl-methylester4-((2-Benzyl-6-((benzyloxy)carbonyl)phenoxy)(phenyl)methyl)-4-(benzyloxy)-4lambda5-benzoic acid
EINECS 260-185-0benzyl p-benzyloxybenzoateUNII-4YU76GHP4ZSCHEMBL50807p-BenzyloxybenzoesaurebenzylesterCHEMBL3278102DTXSID30204998NSC141837

Database identifiers

CAS
56442-22-9
PubChem CID
91863
DTXSID
DTXSID30204998
ChEMBL
CHEMBL3278102
UNII
4YU76GHP4Z
EC Number
260-185-0
Nikkaji
J40.635J

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
24

Physicochemical properties

Melting point
117 · 117-119°C
Boiling point
417.53 °C · 417.53°C (rough estimate)
Density
1.1251 · 1.1251 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
FDA UNII
4 YU76GHP4Z · 4YU76GHP4Z
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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