(Q82854357)

English

Butanoic acid, 2-methyl-, 3-hexen-1-yl ester

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

biogenic acyclic ester

0 references

0 references

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

Chrysanthemum morifolium

1 reference

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

Artemisia montana

1 reference

Composition of the essential oil from the root of Artemisia annua

Artemisia argyi

1 reference

Composition of the essential oil from the root of Artemisia annua

Artemisia princeps

1 reference

Composition of the essential oil from the root of Artemisia annua

1 reference

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

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Identifiers

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

JKKGTSUICJWEKB-UHFFFAOYSA-N

0 references

CAS Registry Number

1 reference

JKKGTSUICJWEKB-UHFFFAOYSA-N

CAS Common Chemistry

10 April 2021

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

2 references

26 December 2021

matched by identifier from

JKKGTSUICJWEKB-UHFFFAOYSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

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

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKGTSUICJWEKB-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

JKKGTSUICJWEKB-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

09.506

1 reference

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

23 January 2021

09.506

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKGTSUICJWEKB-UHFFFAOYSA-N

1 reference

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

30 June 2018

JECFA database ID

0 references

211

1 reference

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

13 May 2021

Sitelinks

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