(Q409554)

Gene Ontology release 2020-05-02

Rhea release 113

3-methylbutanol:NAD oxidoreductase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Isovalerylaldehyde.svg
620 × 294; 9 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

86.073165 dalton

1 reference

3-Methylbutanal (English)

5 October 2016

chemical formula

C₅H₁₀O

1 reference

3-Methylbutanal (English)

19 November 2016

canonical SMILES

CC(C)CC=O

1 reference

3-Methylbutanal (English)

19 November 2016

melting point

−51.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Gyromitra esculenta

1 reference

Occurrence of N-methyl-N-formylhydrazones in fresh and processed false morel, Gyromitra esculenta

Zingiber officinale

1 reference

Volatile constituents of Zingiber officinale

Coffea arabica

1 reference

New volatile components of roasted coffee

Eucalyptus delegatensis

1 reference

Composition of essential oil from leaves of Eucalyptus delegatensis

Eucalyptus pulverulenta

1 reference

The Steam Volatile Leaf Oil ofEucalyptus pulverulenta

Daphne odora

1 reference

Volatile components of zinchoge flower (Daphne odora Thunb.).

Eucalyptus brassiana

1 reference

Chemical Constituents of the Leaf Essential Oil ofEucalyptus brassianaS. T. Blake

Olea europaea

2 references

Analysis of volatiles from callus cultures of olive Olea europaea

Volatile constituents of commercial imported and domestic black-ripe table olives (Olea europaea).

Aesculus hippocastanum

1 reference

Volatiles of Common Horsechestnut (Aesculus hippocastanumL.) (Hippocastanaceae) Blossoms

Allium ampeloprasum

1 reference

Volatile Compounds in Leek and Asafoetida

Kunzea salina

1 reference

The Leaf Essential Oil ofAngasomyrtus salinaTrudgen & Keighery

Asarum canadense

1 reference

Composition of the essential oil from Asarum canadense

Aster scaber

1 reference

Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb)

Capsicum annuum

1 reference

Volatile Compounds in Spanish Paprika

Eucalyptus nitens

1 reference

Essential oil composition of juvenile leaves from coppiced Eucalyptus nitens

Gossypium hirsutum

1 reference

Survey of the volatile constituents of cotton lint and waste with regard to byssinosis

basil

1 reference

Composition of the Essential Oil of Ocimum basilicum L. Cultivated in Turkey

cacao

1 reference

Steam volatile aroma constituents of roasted cocoa beans

Tuber melanosporum

1 reference

Principal constituents of black truffle (Tuber melanosporum) aroma

Eucalyptus deglupta

1 reference

Terpenoid Chemistry. III. The Essential Oils of Eucalyptus deglupta Blume and E. torelliana F. Muell

Eucalyptus globulus

1 reference

Investigations on the Oil of Eucalyptus globulus of California

Apium graveolens

2 references

Kessane in the Indian Celery Seed Oils

Aromatic Volatile Composition of Celery and Celeriac Cultivars

Carica papaya

1 reference

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Ceratophyllum demersum

1 reference

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

Polla

1 reference

Volatile organic compounds in the aril juices and seeds from selected five pomegranate (Punica granatum L.) cultivars

Nicotiana tabacum

1 reference

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

tomato

3 references

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

Differentiation of the volatile profile of microbiologically contaminated canned tomatoes by dynamic headspace extraction followed by gas chromatography-mass spectrometry analysis

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

maize

1 reference

Volatile Flavor Components of Corn Tortillas and Related Products

Eucalyptus crenulata

1 reference

The bark oil of eucalyptus crenulata

Commons category

Isovaleraldehyde

0 references

Identifiers

InChI

InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

1 reference

3-Methylbutanal (English)

19 November 2016

2 references

3-Methylbutanal (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

590-86-3

2 references

Global Substance Registration System

isovaleraldehyde (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=590-86-3

9 April 2021

1 reference

Isovaleraldehyde (English)

19 November 2016

2 references

3-Methylbutanal (English)

19 November 2016

Reaxys registry number

773692

1 reference

3-methylbutanal (English)

5 October 2016

ChEBI ID

16638

mapping relation type

2 references

CHEMBL18360 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP001480

CHEMBL18360 (English)

19 November 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009323

0 references

SPLASH

splash10-0006-9000000000-5a3fd4f38dc36ebe58a1

0 references

splash10-000i-9000000000-809684cd2152204e911f

0 references

splash10-000i-9000000000-6e4f25dc68765a0e52ca

0 references

splash10-000i-9000000000-7f4ac528265c8b3bf3ab

0 references

splash10-0006-9000000000-881fcc89b0f579b40793

0 references

NMRShiftDB structure ID

74220

1 reference

Hazardous Substances Data Bank

0 references

0 references

0 references

1 reference

28 October 2019

3-METHYLBUTANAL (English)

10 May 2021

2 references

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

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

isovaleraldehyde (English)

ECHA Substance Infocard ID

19 November 2016

100.008.811

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.811

27 December 2018

Human Metabolome Database ID

Isovaleraldehyde (English)

quotation

CAS no.: 590-86-3 (English)

FL number

05.006

1 reference

quotation

CAS no.: 590-86-3 (English)

23 January 2021

05.006

1 reference

28 December 2019

ISOPENTANAL (English)

quotation

CAS no.: 590-86-3 (English)

1 reference

0 references

HMDB0006478

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00048949

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

isovaleraldehyde (English)

19 November 2016

0 references

0 references

0 references

0 references

0 references

258

1 reference

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