Butanoic acid, 2-methyl-, 3-hexen-1-yl ester (Q82854357)

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chemical compound

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Language	Label	Description	Also known as
English	Butanoic acid, 2-methyl-, 3-hexen-1-yl ester	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

wax monoester

0 references

mass

184.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₁H₂₀O₂

0 references

canonical SMILES

O=C(OCCC=CCC)C(C)CC

0 references

found in taxon

Chrysanthemum morifolium

1 reference

stated in

Identification of floral scent in chrysanthemum cultivars and wild relatives by gas chromatography-mass spectrometry.

Artemisia montana

1 reference

stated in

Composition of the essential oil from the root of Artemisia annua

Artemisia argyi

1 reference

stated in

Composition of the essential oil from the root of Artemisia annua

Artemisia princeps

1 reference

stated in

Composition of the essential oil from the root of Artemisia annua

Mentha

1 reference

stated in

Essential oil composition and chemoarrays of menthol mint (Mentha arvensis L. f.piperascens Malinvaud ex. Holmes) cultivars

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Identifiers

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3

0 references

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

0 references

CAS Registry Number

10094-41-4

1 reference

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=10094-41-4

PubChem CID

61467

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

ChEBI ID

172070

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3

SureChEMBL ID

SCHEMBL309639

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

UniChem compound ID

26912873

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID50860656

1 reference

matched by identifier from

InChIKey

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID20810188

0 references

FL number

09.506

1 reference

quotation

CAS no.: 10094-41-4 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.506

Human Metabolome Database ID

HMDB0032320

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

JKKGTSUICJWEKB-UHFFFAOYSA-N

LIPID MAPS ID

LMFA07010752

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

JECFA database ID

4347

0 references

JECFA number

211

1 reference

stated in

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

retrieved

13 May 2021

 

Sitelinks

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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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