Basic information
- CAS
6317-49-3- Standard SMILES
CCOC(=O)CCC(=O)CCC(=O)OCC- InChIKey
ZGBUXZJMZBBISR-UHFFFAOYSA-N- Molecular formula
- C11H18O5
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.11542368
Names & identifiers
- Preferred name
- Diethyl 4-oxoheptanedioate
- IUPAC
- diethyl 4-oxoheptanedioate
- English name
- DIETHYL 4-OXOPIMELATE
- Molecular formula
- C11H18O5
- Molecular weight
- 230.26
Names & synonyms
Diethyl 4-oxoheptanedioateHeptanedioic acid, 4-oxo-, diethyl esterAI3-06158EINECS 228-657-0DTXSID50212510NSC 39476RefChem:587171DTXCID80135001228-657-06317-49-3Diethyl 4-oxopimelate1,7-diethyl 4-oxoheptanedioate
Show more names
C11H18O5Aids109813Aids-1098134-OXOPIMELATE4-DiethyloxopimelateDiethyl 4-oxopimelatoDIETHYL G-KETOPIMELATE4-Oxopimelic acid diethyl
MFCD00009210GRQ3CQ6SPPDiethyl .gamma.-ketopimelateDiethyl 4-ketopimelateNSC-394764-Oxopimelic acid diethyl esterdiethyl4-oxoheptanedioate4-oxoheptanedioc acid diethyl ester
Database identifiers
- CAS
6317-49-3- PubChem CID
- 80592
- DTXSID
DTXSID50212510- UNII
- GRQ3CQ6SPP
- EC Number
- 228-657-0
- Nikkaji
- J43.089G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Physicochemical properties
- Melting point
- 58 °C · 58 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 144 °C/0.6 · 144 °C/0.6 mmHg
- Density
- 1.073 g/mL · 1.073 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- BRN
- 1571968 · 1571968
- InChI
- InChI=1S/C11H18O5/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h3-8H2,1-2H3
- InChIKey
- ZGBUXZJMZBBISR-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 8-9
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesDIETHYL 4-OXOPIMELATE is a very important chemical raw material. In industrial production, diacids have extremely wide applications; they are intermediates in the manufacture of diesters, polyesters, and polyamides, and are raw materials for the synthesis of lubricants, plasticizers, heat transfer oils, dielectric fluids, fibers, copolymers, inks, coating resins, surfactants, bactericides, insecticides, hot melt coatings, and adhesives.
Upstream & downstream products
Downstream products
Suppliers79 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
11 records
Compound notes
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