Diethyl suberate

HCID 16301
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2050-23-9
Standard SMILES
CCOC(=O)CCCCCCC(=O)OCC
InChIKey
PEUGOJXLBSIJQS-UHFFFAOYSA-N
Molecular formula
C12H22O4
Average molar mass
230.3 g/mol
Monoisotopic mass
230.15180918

Names & identifiers

Preferred name
Diethyl suberate
IUPAC
diethyl octanedioate
English name
Diethyl suberate
Molecular formula
C12H22O4
Molecular weight
230.3

Names & synonyms

DIETHYL SUBERATEDiethyl octanedioate2050-23-9Octanedioic acid, diethyl esterXJ55KFM3S6NSC-62701DTXSID90174486RefChem:133444DTXCID1096977218-084-4Octanedioic acid, 1,8-diethyl esterEthyl suberate
Show more names
DiethylsuberatSuberic acid dDiethylSuberate>iethyloctanedioateDiethyl suberate,98%octyldiacidiethyl ester2050-23-9Diethyl suberate
Octanedioic Acid Diethyl EsterSUBERIC ACID DIETHYL ESTERMFCD00009217EINECS 218-084-4UNII-XJ55KFM3S6SCHEMBL440349NSC62701S0449

Database identifiers

CAS
2050-23-9
PubChem CID
16301
DTXSID
DTXSID90174486
UNII
XJ55KFM3S6
EC Number
218-084-4
Nikkaji
J127.757J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
16

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
5 °C · 5 °C
Boiling point
282 °C · 282 °C(lit.)
Density
0.982 g/mL · 0.982 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.432(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

Hazard information

Regulatory Information · 2 items

Chemical: Octanedioic acid, diethyl ester

Octanedioic acid, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Safety data

wgk
3
hs_code
29171900
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS06
hazard_code
Xi

Chemistry & industry

Applications · 1 item

UsesDiethyl suberate is one of the volatile components in alcoholic beverages (such as mango wines and Chinese rice wines). Diethyl suberate is also one of the components included in the topical vehicle used to administer Emedastine (E521520) transdermally.

Upstream & downstream products

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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