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English
2-Propionylfuran
chemical compound
1-(2-Furyl)propan-1-one
Ethyl furyl ketone
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
124.052429496
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₈O₂
0 references
canonical SMILES
CCC(=O)C1=CC=CO1
0 references
melting point
28.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Coffea arabica
1 reference
stated in
New volatile components of roasted coffee
liquorice
1 reference
stated in
Volatile flavor components of licorice
Allium cepa
1 reference
stated in
Chemical compositions and antioxidant/anti-inflammatory activities of steam distillate from freeze-dried onion ( Allium cepa L.) sprout
Identifiers
InChI
InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
0 references
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
0 references
CAS Registry Number
3194-15-8
1 reference
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3194-15-8
PubChem CID
76662
1 reference
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
ChEBI ID
178478
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
UniChem compound ID
6386226
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006947
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007736
0 references
NMRShiftDB structure ID
10256
1 reference
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30185778
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70108269
0 references
NSC number
27357
0 references
EC number
221-693-8
0 references
ECHA Substance Infocard ID
100.019.722
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.019.722
retrieved
29 December 2019
title
1-(2-furyl)propan-1-one
(English)
quotation
CAS no.: 3194-15-8
(English)
Human Metabolome Database ID
HMDB0040280
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
KNApSAcK ID
C00057343
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
UNII
PLX6ML3WN6
1 reference
matched by identifier from
InChIKey
InChIKey
HCPORNAVHSWTOJ-UHFFFAOYSA-N
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