CAS 36076-26-3 1,4-Diethyl 1,4-benzenediacetate (HCID 284070)

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Basic information

CAS: 36076-26-3
Standard SMILES: CCOC(=O)Cc1ccc(CC(=O)OCC)cc1
InChIKey: JRSOAUOHTHOAOP-UHFFFAOYSA-N
Molecular formula: C14H18O4
Average molar mass: 250.29 g/mol
Monoisotopic mass: 250.12050906

Names & identifiers

Preferred name: 1,4-Diethyl 1,4-benzenediacetate
IUPAC: ethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetate
English name: 1,4-Phenylenediacetic acid diethyl ester
Molecular formula: C14H18O4
Molecular weight: 250.29

Names & synonyms

36076-26-3RefChem:10532641,4-Diethyl 1,4-benzenediacetateDiethyl 2,2'-(1,4-phenylene)diacetate1,4-Phenylenediacetic Acid Diethyl EsterDiethyl 1,4-Phenylenediacetateethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetateDiethyl 2,2-(1,4-phenylene)diacetateMFCD00032366NSC139681AKOS004905502NSC-139681

Show more names

Diethyl1,4-Phenylenediacetate>p-Benzenediacetic Acid Diethyl Esterp-Phenylenediacetic Acid Diethyl Ester1,4-Phenylenediacetate diethyl ester1,4-Benzenediacetic acid diethyl ester

AS-63151Diethyl 1,4-benzenediacetate1,4-Benzenediacetic acid, diethyl esterNSC 139681AM83005FT-0704466SCHEMBL68851DTXSID70300882

Database identifiers

CAS: 36076-26-3
PubChem CID: 284070
DTXSID: DTXSID70300882
Nikkaji: J89.085E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 59 °C · 59 °C
Boiling point: 140 °C · 140 °C / 4mmHg
Density: 1.097 · 1.097±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Orange to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
HS Code: 2917.39 · 2917.39.7000

Safety & regulation

Safety data

hs_code: 2917.39.7000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Chemistry & industry

Applications

Uses1,4-Phenylenediacetic Acid Diethyl Ester is an arendiacetic ester used in the preparation of potent β-3 receptor agonist.

Upstream & downstream products

Downstream products

1,4-Benzenediethanol

Suppliers57 total

上海康恩博医药科技有限公司17510465506 · [email protected]

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

1 records

New reaction record

HRID 898492As productuspto-grants-2008_04

Compound notes

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