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1609-47-8 molecular structure
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diethyl dicarbonate

ChemBase ID: 103199
Molecular Formular: C6H10O5
Molecular Mass: 162.1406
Monoisotopic Mass: 162.05282342
SMILES and InChIs

SMILES:
CCOC(=O)OC(=O)OCC
Canonical SMILES:
CCOC(=O)OC(=O)OCC
InChI:
InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
InChIKey:
FFYPMLJYZAEMQB-UHFFFAOYSA-N

Cite this record

CBID:103199 http://www.chembase.cn/molecule-103199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl dicarbonate
IUPAC Traditional name
diethyl pyrocarbonate
Synonyms
Diethylpyrocarbonate
DEP
Diethyl pyrocarbonate
Diethyl Oxydiformate
Dicarbonic Acid Diethyl Ester
DEPC
Ethoxyformic acid anhydride
Diethyl dicarbonate
DIETHYL PYROCARBONATE
Diethyl pyrocarbonate
Diethyl dicarbonate
氧二甲酸二乙酯
焦炭酸二乙酯
重碳酸二乙酯
焦碳酸二乙酯
重碳酸二乙酯
CAS Number
1609-47-8
EC Number
216-542-8
MDL Number
MFCD00009106
Beilstein Number
637031
Merck Index
147998
PubChem SID
24893964
24865430
162090634
24859476
24849799
PubChem CID
3051
CHEBI ID
59051
CHEMBL
55517
Chemspider ID
2943
KEGG ID
C11592
MeSH Name
Diethylpyrocarbonate
Wikipedia Title
Diethylpyrocarbonate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6396787  LogD (pH = 7.4) 1.6396787 
Log P 1.6396787  Molar Refractivity 34.8264 cm3
Polarizability 14.201892 Å3 Polar Surface Area 61.83 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
APHA: ≤20 expand Show data source
Boiling Point
93-94 °C/18 mmHg(lit.) expand Show data source
93-94°C expand Show data source
93-94°C/18mm expand Show data source
Flash Point
156.2 °F expand Show data source
69 °C expand Show data source
69.4°C expand Show data source
69°C(156°F) expand Show data source
Density
1.101 expand Show data source
1.101 g/mL at 25 °C(lit.) expand Show data source
1.12 g/ml expand Show data source
1.12 g/mL at 20 °C expand Show data source
1.121 g/mL at 20 °C expand Show data source
Refractive Index
1.3980 expand Show data source
n20/D 1.398 expand Show data source
n20/D 1.398(lit.) expand Show data source
Storage Condition
2-8°C, Desiccate expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
LQ9350000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
R:22-36/37/38-58 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
S:18-25-26-29-36/37/39-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H302-H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97% (NMR) expand Show data source
≥97.0% (NT) expand Show data source
95+% expand Show data source
97% expand Show data source
99% (NT) expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤10 ppm aromatic substances expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
O(COOC2H5)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150902 external link
Used to modify proteins and nucleic acids. Ribonuclease inhibitor.
1 ml = approx. 1.12 g.
Sigma Aldrich - D5758 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Modification reagent for His and Tyr residues in proteins. Robust probe for structural disruptions in dsDNA, reacting with fully or partially unstacked bases.1
Biochem/physiol Actions
在溶液中浓度约为 0.1% (v/v) 时可使 RNase 失活,从而防止 RNA 被降解。
包装
5, 25, 50, 100 mL in glass bottle
Sigma Aldrich - 159220 external link
Application
Modification reagent for His and Tyr residues in proteins. Robust probe for structural disruptions in dsDNA, reacting with fully or partially unstacked bases.1
Utilized as an antimicrobial additive, a ribonuclease inhibitor, a histidine residue modifier, and as a reagent for conversion of imines to carbamates.
Biochem/physiol Actions
Inactivates RNase in solution at about 0.1% (v/v), thus protecting RNA against degradation.
Packaging
25, 100 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 40718 external link
Application
Modification reagent for His and Tyr residues in proteins. Robust probe for structural disruptions in dsDNA, reacting with fully or partially unstacked bases.1
Biochem/physiol Actions
Inactivates RNase in solution at about 0.1% (v/v), thus protecting RNA against degradation.
Packaging
25, 100 mL in poly bottle
Sigma Aldrich - 32490 external link
Application
Modification reagent for His and Tyr residues in proteins. Robust probe for structural disruptions in dsDNA, reacting with fully or partially unstacked bases.1
Biochem/physiol Actions
Inactivates RNase in solution at about 0.1% (v/v), thus protecting RNA against degradation.
Other Notes
Enzyme inhibitor: reagent for the selective chemical modification of histidine 2; Modification of nucleotides: preferential carbethoxylation of purine N-7 3

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • In the presence of the hindered base lithium dicyclohexylamide (from Dicyclohexylamine, A15671), ɑ -ethoxycarbonylation of ketones occurs to give ? -keto esters: Synthesis, 1014 (1984).
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PATENTS

PATENTS

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INTERNET

INTERNET

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