isoamyl salicylate (Q2214309)

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chemical compound

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Language	Label	Description	Also known as
default for all languages	No label defined	–
English	isoamyl salicylate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Isoamyl salicylate.svg
420 × 407; 12 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

208.11 dalton

1 reference

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

chemical formula

C₁₂H₁₆O₃

1 reference

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

canonical SMILES

CC(C)CCOC(=O)C1=CC=CC=C1O

1 reference

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

found in taxon

Plumeria rubra

1 reference

stated in

Volatile components of plumeria flowers. Part 2.1 Plumeria rubra L. cv. ‘Irma Bryan’

Vanilla planifolia

1 reference

stated in

Identification of some Ester Compounds in Bourbon Vanilla Beans

tomato

1 reference

stated in

Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry

has characteristic

bitterness

1 reference

stated in

BitterDB

Identifiers

InChI

InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

stated in

Global Substance Registration System

UNII

M25E4ZMR0N

retrieved

14 February 2018

CAS Registry Number

87-20-7

2 references

stated in

Global Substance Registration System

UNII

M25E4ZMR0N

retrieved

14 February 2018

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=87-20-7

ChemSpider ID

6612

1 reference

stated in

ChemSpider

ChemSpider ID

6612

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

PubChem CID

6874

2 references

stated in

PubChem

PubChem CID

6874

language of work or name

English

title

Isoamyl salicylate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

ChEBI ID

173601

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3

ChEMBL ID

CHEMBL2260718

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL2260718

language of work or name

English

title

CHEMBL2260718 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL113328

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

UniChem compound ID

18239213

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP000078

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008919

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008990

0 references

SPLASH

splash10-00dl-9600000000-5a35db6cf062e262bd0f

0 references

splash10-00di-9700000000-e62a29f19910b38602dc

0 references

DSSTox substance ID

DTXSID9041655

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID7021655

0 references

NSC number

7952

0 references

EC number

201-730-4

1 reference

stated in

Global Substance Registration System

UNII

M25E4ZMR0N

retrieved

14 February 2018

ECHA Substance Infocard ID

100.001.574

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.574

retrieved

27 December 2018

title

Isopentyl salicylate (English)

quotation

CAS no.: 87-20-7 (English)

FL number

09.751

1 reference

quotation

CAS no.: 87-20-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.751

CosIng number

40324

1 reference

stated in

CosIng database

CosIng number

40324

retrieved

28 December 2019

title

ISOAMYL SALICYLATE (English)

quotation

CAS no.: 87-20-7 (English)

Nikkaji ID

J4.275G

1 reference

imported from Wikimedia project

Japanese Wikipedia

RxNorm ID

1940006

1 reference

stated in

Global Substance Registration System

UNII

M25E4ZMR0N

retrieved

14 February 2018

Human Metabolome Database ID

HMDB0040225

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

KNApSAcK ID

C00063234

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

UNII

M25E4ZMR0N

2 references

stated in

Global Substance Registration System

UNII

M25E4ZMR0N

retrieved

14 February 2018

matched by identifier from

InChIKey

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/121fwtxv

0 references

JECFA number

903

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

Wikipedia(4 entries)

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• cawiki Salicilat d'isoamil
• dewiki Salicylsäureisopentylester
• eowiki Izoamila salikato
• jawiki サリチル酸イソアミル

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(0 entries)

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