methyl phenylacetate (Q390681)

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chemical compound

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Language	Label	Description	Also known as
English	methyl phenylacetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Phenylessigsäuremethylester.svg
145 × 68; 6 KB

1 reference

imported from Wikimedia project

German Wikipedia

Methyl-phenylacetate.svg
1,078 × 457; 923 bytes

0 references

mass

150.068 dalton

1 reference

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

chemical formula

C₉H₁₀O₂

1 reference

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

canonical SMILES

COC(=O)CC1=CC=CC=C1

1 reference

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health

1

NFPA Fire

2

NFPA Instability

0

1 reference

imported from Wikimedia project

English Wikipedia

found in taxon

Coffea arabica

1 reference

stated in

New volatile components of roasted coffee

rooibos

1 reference

stated in

Volatile components of Rooibos tea (Aspalathus linearis)

maize

1 reference

stated in

Volatiles of corn tassels: possible corn ear worm attractants

Lonicera japonica

1 reference

stated in

Volatile Constituents from the Flowers of Japanese Honeysuckle (Lonicera japonica)

Mycobacterium bovis

1 reference

stated in

The scent of Mycobacterium tuberculosis.

Mycobacterium tuberculosis

1 reference

stated in

The scent of Mycobacterium tuberculosis.

Humulus lupulus

1 reference

stated in

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Commons category

Methyl 2-phenylacetate

0 references

Identifiers

InChI

InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

1 reference

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

CAS Registry Number

101-41-7

2 references

stated in

Global Substance Registration System

UNII

D4PDC41X96

language of work or name

English

title

methyl phenylacetate (English)

retrieved

14 October 2016

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=101-41-7

ChemSpider ID

7278

1 reference

stated in

ChemSpider

ChemSpider ID

7278

language of work or name

English

title

Methyl phenylacetate (English)

retrieved

14 October 2016

PubChem CID

7559

2 references

stated in

PubChem

PubChem CID

7559

language of work or name

English

title

METHYL PHENYLACETATE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

Reaxys registry number

878795

1 reference

imported from Wikimedia project

English Wikipedia

ChEBI ID

167404

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

ChEMBL ID

CHEMBL3189123

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3189123

language of work or name

English

title

CHEMBL3189123 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL4675

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

UniChem compound ID

4445894

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002121

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006145

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005315

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008497

0 references

SPLASH

splash10-0006-9200000000-eeeabb5445489ab0953b

0 references

splash10-0006-9100000000-18e224838518b1ddae9f

0 references

splash10-0006-9100000000-1edd67a79f223f827641

0 references

splash10-0006-9200000000-52232f96c18eca1b2394

0 references

NMRShiftDB structure ID

20000363

1 reference

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

ZVG number

32950

0 references

HSDB ID

8384

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

8384

publication date

28 October 2019

title

Methyl phenylacetate (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID1044352

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9024352

0 references

NSC number

9405

0 references

401667

0 references

EC number

202-940-9

1 reference

stated in

Global Substance Registration System

UNII

D4PDC41X96

language of work or name

English

title

methyl phenylacetate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.002.674

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.674

retrieved

27 December 2018

title

Methyl phenylacetate (English)

quotation

CAS no.: 101-41-7 (English)

FL number

09.783

1 reference

quotation

CAS no.: 101-41-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.783

Human Metabolome Database ID

HMDB0032617

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

KNApSAcK ID

C00051576

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

UNII

D4PDC41X96

2 references

stated in

Global Substance Registration System

UNII

D4PDC41X96

language of work or name

English

title

methyl phenylacetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

CRZQGDNQQAALAY-UHFFFAOYSA-N

Probes And Drugs ID

PD157967

0 references

Freebase ID

/m/03m6gws

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

JECFA number

1008

1 reference

stated in

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

retrieved

13 May 2021

Microsoft Academic ID

2779924086

0 references

 

Sitelinks

Wikipedia(12 entries)

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• azbwiki متیل فنیل‌استات
• dewiki Phenylessigsäuremethylester
• enwiki Methyl phenylacetate
• eowiki Metila fenil-acetato
• fawiki متیل فنیل‌استات
• jawiki フェニル酢酸メチル
• ptwiki Fenilacetato de metila
• shwiki Metil fenilacetat
• srwiki Metil fenilacetat
• tawiki மெத்தில் பீனைலசிட்டேட்டு
• viwiki Methyl phenylacetat
• zhwiki 苯乙酸甲酯

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:Methyl 2-phenylacetate

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