Ethyl 9-oxononanoate

HCID 18915
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Basic information

CAS
3433-16-7
Standard SMILES
CCOC(=O)CCCCCCCC=O
InChIKey
RVICDIQCDUVBFK-UHFFFAOYSA-N
Molecular formula
C11H20O3
Average molar mass
200.27 g/mol
Monoisotopic mass
200.1412445

Overview

Ethyl 9-oxononanoate has been reported in Epichloe typhina and Phleum pratense with data available.

Names & identifiers

Preferred name
Ethyl 9-oxononanoate
IUPAC
ethyl 9-oxononanoate
English name
9-Oxononanoic acid ethyl ester
Molecular formula
C11H20O3
Molecular weight
200.27

Names & synonyms

ETHYL 9-OXONONANOATE3433-16-7Nonanoic acid, 9-oxo-, ethyl esterDTXSID10187896Ethyl 9-oxononanoic acidRefChem:138865DTXCID70110387RVICDIQCDUVBFK-UHFFFAOYSA-N9-Oxononanoic acid ethyl esterethyl-9-oxononanoateEthyl 9-oxononanoate #SCHEMBL1686744
Show more names
SCHEMBL72913569-oxononanoic acid, ethyl esterDB-142519G90512

Database identifiers

CAS
3433-16-7
PubChem CID
18915
DTXSID
DTXSID10187896
Nikkaji
J132.861A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
10
Heavy atoms
14

Physicochemical properties

Boiling point
78 · 78-81 °C(Press: 1 Torr)
Density
0.9604 g/cm3 · 0.9604 g/cm3(Temp: 24 °C)

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers6 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
重庆艾思摩尔科技有限公司023-86822659 18611316925 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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