2-methylpropanoic acid (Q415062)

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chemical compound

• isobutanoic acid
• isopropylformic acid
• alpha-methylpropionic acid
• alpha-methylpropanoic acid
• iso-C3H7COOH
• 2,2-dimethylacetic acid
• alpha-isobutyric acid
• iso-butyric acid
• 2-methyl-propionic acid
• i-butyric acid
• a-methylpropionic acid
• a-methylpropanoic acid
• 2-methylpropionic acid
• isobutyric acid

edit

Language	Label	Description	Also known as
English	2-methylpropanoic acid	chemical compound	isobutanoic acid isopropylformic acid alpha-methylpropionic acid alpha-methylpropanoic acid iso-C3H7COOH 2,2-dimethylacetic acid alpha-isobutyric acid iso-butyric acid 2-methyl-propionic acid i-butyric acid a-methylpropionic acid a-methylpropanoic acid 2-methylpropionic acid isobutyric acid

Statements

instance of

type of chemical entity

0 references

subclass of

branched chain fatty acids

0 references

short-chain fatty acid

0 references

chemical structure

Isobutyric-acid-2D-structure.svg
242 × 185; 8 KB

0 references

mass

88.052 dalton

1 reference

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

19 October 2016

conjugate base

isobutyrate

0 references

chemical formula

C₄H₈O₂

1 reference

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

canonical SMILES

CC(C)C(=O)O

1 reference

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

ionization energy

10.33 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

−47.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−46 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

154.45 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health

1

NFPA Fire

2

NFPA Instability

0

NFPA Special

no value

1 reference

imported from Wikimedia project

English Wikipedia

found in taxon

Coffea arabica

1 reference

stated in

New volatile components of roasted coffee

liquorice

1 reference

stated in

Components of essential oil from the root of Glycyrrhiza glabra.

Lithospermum erythrorhizon

1 reference

stated in

Cyclooxygenase-2 inhibitory effects and composition of the volatile oil from the dried roots of Lithospermum erythrorhizon

Actinidia chinensis

1 reference

stated in

Volatile constituents of kiwi fruit (Actinidia chinensis Planch.)

Arctium lappa

1 reference

stated in

Volatile constituents of Arctium lappa Linn.

Blattella germanica

1 reference

stated in

Repellent effect of volatile fatty acids of frass on larvae of german cockroach,Blattella germanica (L.) (Dictyoptera: Blattellidae)

Capsicum annuum var. annuum

1 reference

stated in

Comparison of batchwise and continuous steam distillation-solvent extraction recovery of volatiles from oleoresin capsicum, African type (Capsicum frutescens)

Centipeda minima

2 references

stated in

Biologically active constituents of Centipeda minima: isolation of a new plenolin ester and the antiallergy activity of sesquiterpene lactones

stated in

Biologically Active Constituents of Centipedaminima: Sesquiterpenes of Potential Anti-allergy Activity

Fragaria

1 reference

stated in

Organic acids from fresh California strawberries

Centromadia fitchii

1 reference

stated in

Insecticidal chromenes from the volatile oil ofHemizonia fitchii

Heracleum persicum

1 reference

stated in

Composition of Essential Oil of Heracleum persicum Fruits

Lavandula angustifolia

1 reference

stated in

Composition of the Essential Oil of Lavender (Lavandula angustifoliaMill.) from Lithuania

Solanum pennellii

1 reference

stated in

Acylsugars of the wild tomato Lycopersicon pennellii in relation to geographic distribution of the species

Myrtus communis L.

1 reference

stated in

The Chemical Composition of Spanish Myrtle Leaf Oils. Part I.

Pelargonium graveolens

1 reference

stated in

Analysis of the acid fraction of reunion geranium oil (Pelargonium graveolens L'Her. ex Ait)

Polygala senega

1 reference

stated in

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

Scarites subterraneus

1 reference

stated in

Biosynthesis of methacrylic acid and isobutyric acids in a carabid beetle, Scarites subterraneus

Daphnia magna

1 reference

stated in

Mixtures of similarly acting compounds in Daphnia magna: from gene to metabolite and beyond.

Arnica montana

1 reference

stated in

Ueber die Bestandtheile des Arnicawassers und des ätherischen Arnicaöls

Butler's Garter Snake

1 reference

stated in

Volatile components in scent gland secretions of garter snakes (Thamnophis spp.).

Capsicum annuum

1 reference

stated in

Volatile Compounds in Spanish Paprika

Caenorhabditis elegans

1 reference

stated in

Modeling Meets Metabolomics-The WormJam Consensus Model as Basis for Metabolic Studies in the Model Organism

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Humulus lupulus

2 references

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

Characterization of Key Aroma Compounds in Pellets of Different Hop Varieties (Humulus lupulus L.) by Means of the Sensomics Approach

Carica papaya

1 reference

stated in

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

Punica granatum

1 reference

stated in

Exploitation of the health-promoting and sensory properties of organic pomegranate (Punica granatum L.) juice through lactic acid fermentation

Nicotiana tabacum

1 reference

stated in

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

Artemisia afra

1 reference

stated in

Essential Oil Constituents of Artemisia afra Willd.

Streptomyces

1 reference

stated in

Comparative analysis of chemical constituents, antimicrobial and antioxidant activities of ethylacetate extracts of Polygonum cuspidatum and its endophytic actinomycete, Streptomyces sp. A0916

physically interacts with

Free fatty acid receptor 2

subject has role

agonist

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1060

language of work or name

English

retrieved

17 August 2016

Free fatty acid receptor 3

subject has role

agonist

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1060

language of work or name

English

retrieved

17 August 2016

described by source

Encyclopædia Britannica 11th edition

statement is subject of

1911 Encyclopædia Britannica/Butyric Acid

0 references

subject has role

metabolite

found in taxon

Homo sapiens

1 reference

stated in

A review of the volatiles from the healthy human body

Commons category

Isobutyric acid

0 references

Identifiers

InChI

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

1 reference

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

79-31-2

2 references

stated in

Global Substance Registration System

UNII

8LL210O1U0

language of work or name

English

title

isobutyric acid (English)

retrieved

20 November 2016

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=79-31-2

ChemSpider ID

6341

1 reference

stated in

ChemSpider

ChemSpider ID

6341

language of work or name

English

title

Isobutyric acid (English)

retrieved

20 November 2016

PubChem CID

6590

2 references

stated in

PubChem

PubChem CID

6590

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Reaxys registry number

635770

1 reference

stated in

ChEBI

ChEBI ID

16135

language of work or name

English

title

isobutyric acid (English)

retrieved

19 October 2016

Gmelin number

49630

0 references

ChEBI ID

16135

mapping relation type

exact match

3 references

stated in

ChEMBL

ChEMBL ID

CHEMBL108778

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

ChEMBL ID

CHEMBL108778

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL108778

language of work or name

English

title

ISOBUTYRIC ACID (English)

retrieved

20 November 2016

UniChem compound ID

109421

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009178

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004280

0 references

MSBNK-Keio_Univ-KO001180

0 references

MSBNK-Keio_Univ-KO001181

0 references

MSBNK-Keio_Univ-KO001182

0 references

SPLASH

splash10-0006-9000000000-e8e4dc7f7f3f492ec19c

0 references

splash10-000i-9000000000-d5f9008f8738e9ee1206

0 references

splash10-000i-9000000000-3b1bc720943b7b4b9b7b

0 references

splash10-000i-9000000000-af791f98a192fc352a65

0 references

splash10-01p9-9000000000-5c04208ca28e5afe255c

0 references

splash10-03di-9000000000-14867298c3ad8ca9d8b8

0 references

splash10-00dr-9000000000-67f1d07ca106199c76d3

0 references

splash10-0a4i-9000000000-d5e7b5664f34e843b614

0 references

splash10-0006-9000000000-ce74765d5e4785841363

0 references

splash10-0f79-9200000000-b18c55d6aa937214dca2

0 references

splash10-0006-9000000000-efa3c6f7ffd24a637705

0 references

NMRShiftDB structure ID

10016777

1 reference

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

ICSC ID

0903

0 references

CAMEO Chemicals ID

3675

0 references

RTECS number

NQ4375000

1 reference

imported from Wikimedia project

French Wikipedia

ZVG number

28040

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

5228

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5228

publication date

28 October 2019

title

ISOBUTYRIC ACID (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID4021636

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID601636

0 references

NSC number

62780

0 references

EC number

201-195-7

1 reference

stated in

Global Substance Registration System

UNII

8LL210O1U0

language of work or name

English

title

isobutyric acid (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.001.087

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.087

retrieved

27 December 2018

title

Isobutyric acid (English)

quotation

CAS no.: 79-31-2 (English)

FL number

08.006

1 reference

quotation

CAS no.: 79-31-2 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

08.006

CosIng number

76727

1 reference

stated in

CosIng database

CosIng number

76727

retrieved

28 December 2019

title

ISOBUTYRIC ACID (English)

quotation

CAS no.: 79-31-2 (English)

PesticideInfo chemical ID

PRI3698

0 references

Nikkaji ID

J3.840G

1 reference

imported from Wikimedia project

Japanese Wikipedia

Wikimedia import URL

https://ja.wikipedia.org/w/index.php?title=イソ酪酸&oldid=68290257

UM-BBD compound ID

c0383

0 references

Guide to Pharmacology Ligand ID

1060

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1060

language of work or name

English

title

isobutyric acid (English)

retrieved

20 November 2016

DrugBank ID

DB02531

1 reference

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0001873

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

KNApSAcK ID

C00029462

3 references

stated in

ChEBI

ChEBI ID

16135

language of work or name

English

title

isobutyric acid (English)

retrieved

19 October 2016

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

UNII

8LL210O1U0

2 references

stated in

Global Substance Registration System

UNII

8LL210O1U0

language of work or name

English

title

isobutyric acid (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

KQNPFQTWMSNSAP-UHFFFAOYSA-N

Probes And Drugs ID

PD007891

0 references

KEGG ID

C02632

1 reference

imported from Wikimedia project

English Wikipedia

LIPID MAPS ID

LMFA01020071

0 references

PDB ligand ID

ALQ

0 references

CAB ID

189817

1 reference

stated in

CAB Thesaurus

retrieved

6 April 2020

Encyclopedia of China (Third Edition) ID

156989

0 references

Freebase ID

/m/03hz46

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

2656

0 references

JECFA database ID

3697

0 references

JECFA number

253

1 reference

stated in

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

retrieved

13 May 2021

Microsoft Academic ID

2780584575

0 references

OpenAlex ID

C2780584575

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

1IUP

1 reference

stated in

Protein Data Bank

PDB structure ID

1IUP

language of work or name

English

title

1IUP (English)

retrieved

19 October 2016

4GM3

1 reference

stated in

Protein Data Bank

PDB structure ID

4GM3

language of work or name

English

title

4GM3 (English)

retrieved

19 October 2016

1R6N

1 reference

stated in

Protein Data Bank

PDB structure ID

1R6N

language of work or name

English

title

1R6N (English)

retrieved

19 October 2016

4GM8

1 reference

stated in

Protein Data Bank

PDB structure ID

4GM8

language of work or name

English

title

4GM8 (English)

retrieved

19 October 2016

4GMB

1 reference

stated in

Protein Data Bank

PDB structure ID

4GMB

language of work or name

English

title

4GMB (English)

retrieved

19 October 2016

4GM9

1 reference

stated in

Protein Data Bank

PDB structure ID

4GM9

language of work or name

English

title

4GM9 (English)

retrieved

19 October 2016

1QR3

1 reference

stated in

Protein Data Bank

PDB structure ID

1QR3

language of work or name

English

title

1QR3 (English)

retrieved

19 October 2016

Römpp online ID

RD-09-01479

1 reference

imported from Wikimedia project

German Wikipedia

 

Sitelinks

Wikipedia(23 entries)

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• azbwiki ایزوبوتیریک اسید
• cswiki Kyselina isomáselná
• dewiki Isobuttersäure
• elwiki Ισοβουτυρικό οξύ
• enwiki Isobutyric acid
• eowiki Izobuterata acido
• eswiki Ácido isobutírico
• fawiki ایزوبوتیریک اسید
• fiwiki Isovoihappo
• frwiki Acide isobutyrique
• glwiki Ácido isobutírico
• huwiki Izovajsav
• jawiki イソ酪酸
• nlwiki Isoboterzuur
• ptwiki Ácido isobutírico
• rowiki Acid izobutiric
• shwiki Izobuterna kiselina
• skwiki Kyselina izomaslová
• srwiki Izobuterna kiselina
• svwiki Isobutansyra
• trwiki İzobütirik asit
• ukwiki 2-Метилпропанова кислота
• zhwiki 异丁酸

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:Isobutyric acid

Retrieved from "https://www.wikidata.org/w/index.php?title=Q415062&oldid=2253762223"