3-phenylpropionaldehyde (Q174903)

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chemical compound

• hydrocinnamaldehyde
• 3-phenylpropional

edit

Language	Label	Description	Also known as
English	3-phenylpropionaldehyde	chemical compound	hydrocinnamaldehyde 3-phenylpropional

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Hydrozimtaldehyd.svg
209 × 135; 7 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

134.073±0 dalton

1 reference

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

chemical formula

C₉H₁₀O

1 reference

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

canonical SMILES

C1=CC=C(C=C1)CCC=O

1 reference

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

melting point

−42.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Cinnamomum sieboldii

1 reference

stated in

Miscellaneous contributions to the essential oils of plants from various territories. XLVII. On the components of essential oils of Cinnamomum sieboldii Meisn

Cinnamomum zeylanicum

1 reference

stated in

Volatile constituents of cinnamon (Cinnamomum zeylanicum) oils

Syzygium jambos

1 reference

stated in

Volatile Constituents of the Jamrosa AromaSyzygium jambosL. Aston from Reunion Island

Cinnamon

1 reference

stated in

Volatile constituents of cinnamon (Cinnamomum zeylanicum) oils

Commons category

Hydrocinnamaldehyde

0 references

Identifiers

InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2

1 reference

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

CAS Registry Number

104-53-0

2 references

stated in

Global Substance Registration System

UNII

LP1E86N30T

language of work or name

English

title

3-phenylpropionaldehyde (English)

retrieved

19 October 2016

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=104-53-0

ChemSpider ID

7421

1 reference

stated in

ChemSpider

ChemSpider ID

7421

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

PubChem CID

7707

2 references

stated in

PubChem

PubChem CID

7707

language of work or name

English

title

3-Phenylpropanal (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

ChEBI ID

39940

mapping relation type

exact match

3 references

title

RCSB PDB - 3PL Ligand Summary Page (English)

stated in

RCSB protein data bank

language of work or name

English

retrieved

22 February 2021

reference URL

https://www.rcsb.org/ligand/3PL

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2

ChEMBL ID

CHEMBL440161

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL440161

language of work or name

English

title

DIHYDROCINNAMALDEHYDE (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL1335

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

UniChem compound ID

559507

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP008706

0 references

SPLASH

splash10-002f-9200000000-b6c6eb84142ecf8702d8

0 references

NMRShiftDB structure ID

10024900

1 reference

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

ZVG number

492660

0 references

DSSTox substance ID

DTXSID0047610

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID8027610

0 references

NSC number

9271

0 references

EC number

203-211-8

1 reference

stated in

Global Substance Registration System

UNII

LP1E86N30T

language of work or name

English

title

3-phenylpropionaldehyde (English)

retrieved

19 October 2016

ECHA Substance Infocard ID

100.002.920

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.920

retrieved

27 December 2018

title

3-phenylpropionaldehyde (English)

quotation

CAS no.: 104-53-0 (English)

FL number

05.080

1 reference

quotation

CAS no.: 104-53-0 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

05.080

CosIng number

40268

1 reference

stated in

CosIng database

CosIng number

40268

retrieved

28 December 2019

title

HYDROCINNAMALDEHYDE (English)

quotation

CAS no.: 104-53-0 (English)

Human Metabolome Database ID

HMDB0033716

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

UNII

LP1E86N30T

2 references

stated in

Global Substance Registration System

UNII

LP1E86N30T

language of work or name

English

title

3-phenylpropionaldehyde (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

YGCZTXZTJXYWCO-UHFFFAOYSA-N

PDB ligand ID

3PL

0 references

Google Knowledge Graph ID

/g/12116jxz

0 references

JECFA number

645

1 reference

stated in

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

retrieved

13 May 2021

PDB structure ID

4US9

1 reference

stated in

Protein Data Bank

PDB structure ID

4US9

language of work or name

English

title

4US9 (English)

retrieved

19 October 2016

1Y3G

1 reference

stated in

Protein Data Bank

PDB structure ID

1Y3G

language of work or name

English

title

1Y3G (English)

retrieved

19 October 2016

2XFO

1 reference

stated in

Protein Data Bank

PDB structure ID

2XFO

language of work or name

English

title

2XFO (English)

retrieved

19 October 2016

2XFU

1 reference

stated in

Protein Data Bank

PDB structure ID

2XFU

language of work or name

English

title

2XFU (English)

retrieved

19 October 2016

2XAH

1 reference

stated in

Protein Data Bank

PDB structure ID

2XAH

language of work or name

English

title

2XAH (English)

retrieved

19 October 2016

2XCG

1 reference

stated in

Protein Data Bank

PDB structure ID

2XCG

language of work or name

English

title

2XCG (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(5 entries)

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• dewiki Hydrozimtaldehyd
• enwiki Hydrocinnamaldehyde
• eowiki Fenilpropanalo
• ptwiki 3-Fenilpropanal
• zhwiki 苯丙醛

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:Hydrocinnamaldehyde

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