pentyl benzoate (Q27275524)

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chemical compound

• amyl benzoate
• n-pentyl benzoate

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Language	Label	Description	Also known as
English	pentyl benzoate	chemical compound	amyl benzoate n-pentyl benzoate

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Pentyl benzoate.svg
580 × 260; 8 KB

0 references

mass

192.115 dalton

1 reference

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

chemical formula

C₁₂H₁₆O₂

1 reference

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

canonical SMILES

CCCCCOC(=O)C1=CC=CC=C1

1 reference

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

found in taxon

common sunflower

1 reference

stated in

Isolation and identification of volatile constituents of sunflowers (Helianthus annuus L.)

Croton eluteria

1 reference

stated in

The constituents of cascarilla oil (croton eluteria bennett)

Liriope spicata

1 reference

stated in

Determination and fingerprint analysis of steroidal saponins in roots of Liriope muscari (Decne.) L. H. Bailey by ultra high performance liquid chromatography coupled with ion trap time-of-flight mass spectrometry

Identifiers

InChI

InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3

1 reference

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

CAS Registry Number

2049-96-9

2 references

stated in

Global Substance Registration System

UNII

CLE7K4B29S

language of work or name

English

title

amyl benzoate (English)

retrieved

14 October 2016

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=2049-96-9

ChemSpider ID

15462

1 reference

stated in

ChemSpider

ChemSpider ID

15462

language of work or name

English

title

Pentyl benzoate (English)

retrieved

14 October 2016

PubChem CID

16296

2 references

stated in

PubChem

PubChem CID

16296

language of work or name

English

title

PENTYL BENZOATE (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

ChEBI ID

195048

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3

SureChEMBL ID

SCHEMBL132946

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

UniChem compound ID

8928280

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP001511

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001820

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MSBNK-Fac_Eng_Univ_Tokyo-JP009729

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MSBNK-Fac_Eng_Univ_Tokyo-JP005169

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005189

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MSBNK-Fac_Eng_Univ_Tokyo-JP005191

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008489

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SPLASH

splash10-05i0-8900000000-2b924112cb980b22a08c

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splash10-00di-3900000000-d07175ff81e07a326beb

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splash10-0006-0900000000-ad5059ca47edad08e3b6

0 references

splash10-0006-0900000000-cf4ec5be067385c6ff2d

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splash10-05i0-8900000000-90f57fb3ba7dd293673c

0 references

splash10-05fr-1900000000-60010269841a299a1231

0 references

DSSTox substance ID

DTXSID2051849

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0030405

0 references

EC number

218-077-6

1 reference

stated in

Global Substance Registration System

UNII

CLE7K4B29S

language of work or name

English

title

amyl benzoate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.016.435

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.435

retrieved

27 December 2018

title

Pentyl benzoate (English)

quotation

CAS no.: 2049-96-9 (English)

FL number

09.825

1 reference

quotation

CAS no.: 2049-96-9 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.825

CosIng number

74447

1 reference

stated in

CosIng database

CosIng number

74447

retrieved

28 December 2019

title

AMYL BENZOATE (English)

quotation

CAS no.: 2049-96-9 (English)

AICS Chemical ID (BEING DELETED)

2122

0 references

Human Metabolome Database ID

HMDB0303724

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

UNII

CLE7K4B29S

2 references

stated in

Global Substance Registration System

UNII

CLE7K4B29S

language of work or name

English

title

amyl benzoate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

QKNZNUNCDJZTCH-UHFFFAOYSA-N

 

Sitelinks

Wikipedia(1 entry)

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• eowiki Amila benzoato

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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(0 entries)

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