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Dibenzyl Carbonate - >98.0%(GC), high purity , CAS No.3459-92-5

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3459-92-5
Molecular Weight: 242.27
MDL number: MFCD00014436
PubChem CID: 77002
PubChem SID: 504755134

In stock

Item Number

D155961

Grouped product items
SKU	Size	Availability	Price
D155961-1g	1g	2	$26.90
D155961-5g	5g	2	$82.90
D155961-10g	10g	3	$148.90

View related series

Carbonyl compound (2335) Derivatization reagent (39)

Basic Description

Synonyms	A822316 \| Dibenzylcarbonate \| NSC406789 \| NSC-406789 \| AKOS005257025 \| D89435 \| C1600 \| PIZLBWGMERQCOC-UHFFFAOYSA-N \| DTXSID3063041 \| J-019674 \| Dibenzyl carbonate \| SCHEMBL37382 \| Carbonic Acid Dibenzyl Ester \| EINECS 222-401-1 \| AI3-05836 \| NSC 406789 \|
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Dibenzyl carbonate (DBC) is commonly used as a benzylating agent. Dimethyl carbonate and excess of benzyl alcohol undergoes transesterification in the presence of CsF/α-Al2O3 (cesium fluoride/aluminum oxide) to form DBC. The formation of N,N-dibenzyl derivatives by the reaction of primary aliphatic amines with DBC in the presence of phosphonium salts has been investigated； Dibenzyl carbonate may be used in the synthesis of the following via benzylation reaction: • Benzyl phenyl ether from phenol. • 2,3-Diphenylpropionitrile from phenylacetonitrile. • Benzyl 2,3-diphenylpropionate from benzyl phenyl acetate

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Carbonic acid diester - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504755134
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755134
IUPAC Name	dibenzyl carbonate
INCHI	InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey	PIZLBWGMERQCOC-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2
WGK Germany	3
Molecular Weight	242.27
Reaxy-Rn	1882864
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1882864&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F2122049	Certificate of Analysis	Apr 08, 2025	D155961

Chemical and Physical Properties

Solubility	paringly Soluble (0.099 g/L) (25°C)
Sensitivity	air sensitive
Refractive Index	1.5485
Flash Point(°F)	230°F
Flash Point(°C)	>110 °C
Boil Point(°C)	150-155°/0.8mm
Melt Point(°C)	29-33°C
Molecular Weight	242.270 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	242.094 Da
Monoisotopic Mass	242.094 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	216.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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