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Diethyl cyclobutane-1,1-dicarboxylate - 98%(GC), high purity , CAS No.3779-29-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 3779-29-1
Molecular Weight: 200.24
Beilstein Registry Number: 2050195
EC Number: 223-239-4
MDL number: MFCD00019261
PubChem CID: 77410
PubChem SID: 504755174

In stock

Item Number

D124266

Grouped product items
SKU	Size	Availability	Price
D124266-5ml	5ml	2	$26.90
D124266-10ml	10ml	1	$47.90
D124266-25ml	25ml	1	$84.90
D124266-50ml	50ml	1	$152.90
D124266-100ml	100ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$273.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	W-106512 \| AC-19426 \| SY036809 \| 1,1-DICARBOETHOXYCYCLOBUTANE/Diethyl 1,1-cyclobutanedicarboxylate \| Diethyl 1,1-cyclobutanedicarboxylate \| NSC 9017 \| EINECS 223-239-4 \| EN300-20256 \| BBL100175 \| FT-0606077 \| AB89710 \| HMS1577C01 \| J-802188 \| 2,6-Di-tert-
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	It may be used in chemical synthesis studies.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Dicarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Dicarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dicarboxylic acids and derivatives
Alternative Parents	Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
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	504755174
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755174
IUPAC Name	diethyl cyclobutane-1,1-dicarboxylate
INCHI	InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKey	JPNJEJSZSMXWSV-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CCC1)C(=O)OCC
Isomeric SMILES	CCOC(=O)C1(CCC1)C(=O)OCC
WGK Germany	3
Molecular Weight	200.24
Beilstein	2050195
Reaxy-Rn	2050195
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050195&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot Number	Certificate Type	Date	Item
L2417706	Certificate of Analysis	Jun 25, 2024	D124266
L2417715	Certificate of Analysis	Jun 25, 2024	D124266
A2411448	Certificate of Analysis	Nov 24, 2023	D124266
A2411449	Certificate of Analysis	Nov 24, 2023	D124266
A2411450	Certificate of Analysis	Nov 24, 2023	D124266
J2331164	Certificate of Analysis	Sep 27, 2023	D124266
J2331168	Certificate of Analysis	Sep 27, 2023	D124266
J2331166	Certificate of Analysis	Sep 27, 2023	D124266
J2331167	Certificate of Analysis	Sep 27, 2023	D124266
J2331170	Certificate of Analysis	Sep 27, 2023	D124266
J2331163	Certificate of Analysis	Sep 27, 2023	D124266
J2331171	Certificate of Analysis	Sep 27, 2023	D124266
J2331165	Certificate of Analysis	Sep 27, 2023	D124266
J2331169	Certificate of Analysis	Sep 27, 2023	D124266

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Chemical and Physical Properties

Refractive Index	1.436
Flash Point(°F)	192.2 °F
Flash Point(°C)	89°C(Lit.)
Boil Point(°C)	226°C
Molecular Weight	200.230 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	200.105 Da
Monoisotopic Mass	200.105 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	210.000
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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