methyl hexanoate (Q3135043)

inferred from SMILES

chemical formula

C₇H₁₄O₂

1 reference

inferred from SMILES

canonical SMILES

CCCCCC(=O)OC

0 references

melting point

−71.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Citrus ×iyo

1 reference

Composition of oxygenated compounds in peel oil from Citrus iyo and its variation during storage.

Astragalus membranaceus

1 reference

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

rooibos

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

Annona reticulata

1 reference

Volatile constituents of Custard Apple

common sunflower

1 reference

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

Psidium guajava

1 reference

Volatile flavour components of guava

Casimiroa greggii

1 reference

Oil of Chapote Amarillo (Sargentia greggi): 2,5-Dimethoxyflavone in the Unsaponified Fraction

Brassica juncea

1 reference

Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.

Brassica campestris

1 reference

Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.

Chaenomeles speciosa

1 reference

Volatiles of Ripe Flowering Quince (Chaenomeles speciosaNakai)

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Solanum betaceum

1 reference

Volatile constituents from tamarillo (Cyphomandra betacea Sendtn.) fruit

Malpighia punicifolia

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Annona muricata

1 reference

Essential Oil Compounds of theAnnona muricataFresh Fruit Pulp from Cameroon

Annona montana

1 reference

Volatile Components of Wild Soursop (Annona montana Macf.) Fruit

Carica papaya

1 reference

Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products

Nepeta nepetella

1 reference

Constituents of Essential Oil of Nepeta nepetella

liquorice

1 reference

Components of essential oil from the root of Glycyrrhiza glabra.

Humulus lupulus

1 reference

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Otostegia fruticosa

1 reference

Composition and Antimicrobial Activity of Otostegia fruticosa Forssk. Oil

Chenopodium ambrosioides

1 reference

Volatile Constituents from the Leaves of Chenopodium ambrosioides L.

Malpighia glabra

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Malpighia emarginata

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Dysphania ambrosioides

1 reference

Volatile Constituents from the Leaves of Chenopodium ambrosioides L.

Astragalus trimestris

1 reference

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Astragalus mongholicus

1 reference

Volatile Flavor Components of ASTRAGALI RADIX (Astragalus membranaceusBunge)

Brassica rapa

1 reference

Volatile constituents occurring in autolyzed leaves of three cruciferous vegetables.

Vergonis planta

1 reference

The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis

Matsutake

1 reference

Volatile flavor compounds of Matsutake-Tricholomam atsutake (Ito et Imai) Sing.

Commons category

Methyl hexanoate

0 references

Identifiers

InChI

InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

0 references

1 reference

ChEBI release 2020-09-01

CAS Registry Number

106-70-7

1 reference

https://commonchemistry.cas.org/detail?cas_rn=106-70-7

9 April 2021

2 references

language of work or name

English

title

Methyl caproate (English)

20 November 2016

Reaxys registry number

1744683

0 references

ChEBI ID

77322

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

SureChEMBL ID

SCHEMBL124681

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP003222

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006227

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006242

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006984

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005302

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005833

0 references

NMRShiftDB structure ID

10009158

1 reference

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

0 references

0 references

2 references

DSSTOX compound identifier

0 references

0 references

203-425-1

0 references

ECHA Substance Infocard ID

100.003.115

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.115

AICS Chemical ID (BEING DELETED)

27 December 2018

title

Methyl hexanoate (English)

quotation

CAS no.: 106-70-7 (English)

FL number

09.069

1 reference

quotation

CAS no.: 106-70-7 (English)

23 January 2021

09.069

1 reference

28 December 2019

METHYL CAPROATE (English)

quotation

CAS no.: 106-70-7 (English)

1 reference

2672

0 references

Human Metabolome Database ID

HMDB35238

reason for deprecated rank

cannot be confirmed by other sources

0 references

HMDB0035238

2 references

inferred from InChIKey

KNApSAcK ID

C00050482

2 references

inferred from InChIKey

UNII

246364VPJS

1 reference

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

0 references

1 reference

Google Knowledge Graph ID

30 June 2018

/g/1237vxk9

0 references

JECFA number

1871

1 reference

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