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(Q63396315)
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English
3-undecanone
chemical compound
undecan-3-one
ethyl octyl ketone
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ketone
0 references
mass
170.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₂O
0 references
canonical SMILES
CCCCCCCCC(=O)CC
0 references
melting point
9.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Dacrydium nidulum
1 reference
stated in
Major Constituents of the Essential Oils of the Fijian Dacrydiums
Dacrydium nausoriense
1 reference
stated in
Major Constituents of the Essential Oils of the Fijian Dacrydiums
Commiphora rostrata
1 reference
stated in
Volatile resin exudate from stem bark of Commiphora rostrata: Potential role in plant defence
Identifiers
InChI
InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
0 references
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
0 references
CAS Registry Number
2216-87-7
1 reference
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=2216-87-7
PubChem CID
75189
1 reference
matched by identifier from
InChIKey
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL888107
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
UniChem compound ID
22919447
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007047
0 references
DSSTox substance ID
DTXSID20176695
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YNMZZHPSYMOGCI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2099186
0 references
NSC number
158429
0 references
LIPID MAPS ID
LMFA12000060
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
Sitelinks
Wikipedia
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eowiki
3-Undekanono
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