4-phenyl-2-butanone (Q410405)

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chemical compound

• benzylacetone

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Language	Label	Description	Also known as
default for all languages	No label defined	–
English	4-phenyl-2-butanone	chemical compound	benzylacetone

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

has use

odor

0 references

chemical structure

Benzylacetone V.1.svg
251 × 137; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

Benzylacetone.png
765 × 475; 7 KB

0 references

mass

148.089 dalton

1 reference

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

chemical formula

C₁₀H₁₂O

1 reference

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

canonical SMILES

CC(=O)CCC1=CC=CC=C1

1 reference

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

found in taxon

Aquilaria malaccensis

1 reference

stated in

Agarwood oil (Aquilaria agallocha Roxb.). Its composition and eight new valencane-, eremophilane- and vetispirane- derivatives

Alpinia latilabris

1 reference

stated in

Volatile Constituents of the Seed and Fruit Skin Oils of Catimbium latilabre (Ridl.) Holtt. from Vietnam

Eucalyptus delegatensis

1 reference

stated in

Composition of essential oil from leaves of Eucalyptus delegatensis

Artemisia xanthochloa

1 reference

stated in

Seco-guaianolides and other constituents from Artemisia species

Aquilaria sinensis

1 reference

stated in

Comparison of Compositions and Antimicrobial Activities of Essential Oils from Chemically Stimulated Agarwood, Wild Agarwood and Healthy Aquilaria sinensis (Lour.) Gilg Trees

Rhododendron anthopogon

1 reference

stated in

Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais.

Rhododendron anthopogonoides

1 reference

stated in

Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais.

Commons category

Benzylacetone

0 references

Identifiers

InChI

InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

1 reference

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

CAS Registry Number

2550-26-7

2 references

stated in

Global Substance Registration System

UNII

UZM5QH16YW

language of work or name

English

title

4-phenyl-2-butanone (English)

retrieved

14 October 2016

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2550-26-7

ChemSpider ID

16422

1 reference

stated in

ChemSpider

ChemSpider ID

16422

language of work or name

English

title

Benzylacetone (English)

retrieved

14 October 2016

PubChem CID

17355

2 references

stated in

PubChem

PubChem CID

17355

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

ChEBI ID

195507

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

ChEMBL ID

CHEMBL1490851

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1490851

language of work or name

English

title

BENZYLACETONE (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL1346

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

UniChem compound ID

902953

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP007144

0 references

SPLASH

splash10-0006-9500000000-71d38ef53ad7e770709b

0 references

ZVG number

494264

0 references

DSSTox substance ID

DTXSID6033241

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID4013241

0 references

NSC number

813

0 references

44829

0 references

EC number

219-847-4

1 reference

stated in

Global Substance Registration System

UNII

UZM5QH16YW

language of work or name

English

title

4-phenyl-2-butanone (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.018.044

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.018.044

retrieved

27 December 2018

title

4-phenylbutan-2-one (English)

quotation

CAS no.: 2550-26-7 (English)

FL number

07.194

1 reference

quotation

CAS no.: 2550-26-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

07.194

CosIng number

39222

1 reference

stated in

CosIng database

CosIng number

39222

retrieved

28 December 2019

title

BENZYL ACETONE (English)

quotation

CAS no.: 2550-26-7 (English)

KNApSAcK ID

C00000157

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

UNII

UZM5QH16YW

2 references

stated in

Global Substance Registration System

UNII

UZM5QH16YW

language of work or name

English

title

4-phenyl-2-butanone (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

AKGGYBADQZYZPD-UHFFFAOYSA-N

Probes And Drugs ID

PD087969

0 references

Freebase ID

/m/04gw7t7

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

2779119686

0 references

 

Sitelinks

Wikipedia(11 entries)

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• dewiki Benzylaceton
• enwiki Benzylacetone
• eowiki Benzilacetono
• fiwiki Bentsyyliasetoni
• itwiki Benzilacetone
• jawiki ベンジルアセトン
• nlwiki Benzylaceton
• shwiki Benzilaceton
• srwiki Benzilaceton
• tawiki பென்சைலசிட்டோன்
• zhwiki 苄丙酮

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:Benzylacetone

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