methyl heptanoate (Q3133329)

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chemical compound

• methyl enanthate

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Language	Label	Description	Also known as
English	methyl heptanoate	chemical compound	methyl enanthate

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

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wax monoester

0 references

chemical structure

Methyl heptanoate.svg
569 × 143; 8 KB

0 references

mass

144.115029752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₆O₂

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canonical SMILES

CCCCCCC(=O)OC

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found in taxon

Astragalus membranaceus

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Cichorium endivia

1 reference

stated in

Neutral volatiles from blended endive (Cichorium endivia, L.)

Nymphaea gardneriana

1 reference

stated in

The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators

Nymphaea rudgeana

1 reference

stated in

The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators

Humulus lupulus

3 references

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

stated in

Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis

stated in

Assessment of the phytochemical profiles of novel hop (Humulus lupulus L.) cultivars: A potential route to beer crafting

Apium graveolens

1 reference

stated in

COMPOSITION AND ANTIMICROBIAL ACTIVITY OF CELERY (APIUM GRAVEOLENS) LEAF AND ROOT EXTRACTS OBTAINED WITH LIQUID CARBON DIOXIDE

Carica papaya

1 reference

stated in

Volatile components of papaya (Carica papaya L., Solo variety)

Astragalus trimestris

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Astragalus mongholicus

1 reference

stated in

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Nicotiana cavicola

1 reference

stated in

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

Nicotiana ingulba

1 reference

stated in

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

Commons category

Methyl heptanoate

0 references

Identifiers

InChI

InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

0 references

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

106-73-0

1 reference

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=106-73-0

PubChem CID

7826

1 reference

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

ChEBI ID

88620

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3

SureChEMBL ID

SCHEMBL124702

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

UniChem compound ID

12688129

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006243

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006540

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ZVG number

101660

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DSSTox substance ID

DTXSID3059345

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9033000

0 references

EC number

203-428-8

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.118

retrieved

27 December 2018

title

Methyl heptanoate (English)

quotation

CAS no.: 106-73-0 (English)

ECHA Substance Infocard ID

100.003.118

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.118

retrieved

27 December 2018

title

Methyl heptanoate (English)

quotation

CAS no.: 106-73-0 (English)

FL number

09.096

1 reference

quotation

CAS no.: 106-73-0 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.096

CosIng number

40684

1 reference

stated in

CosIng database

CosIng number

40684

retrieved

28 December 2019

title

METHYL HEPTANOATE (English)

quotation

CAS no.: 106-73-0 (English)

Cannabis Database ID

000638

1 reference

stated in

Cannabis Database

Human Metabolome Database ID

HMDB0031478

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

KNApSAcK ID

C00053481

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

UNII

1J543V5703

1 reference

matched by identifier from

InChIKey

InChIKey

XNCNNDVCAUWAIT-UHFFFAOYSA-N

Probes And Drugs ID

PD143530

0 references

LIPID MAPS ID

LMFA07010961

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

Google Knowledge Graph ID

/g/122v3rx3

0 references

JECFA database ID

3402

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JECFA number

167

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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• dewiki Heptansäuremethylester
• eowiki Metila heptanato
• frwiki Heptanoate de méthyle
• ptwiki Heptanoato de metila

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 heptanoate

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