butyraldehyde (Q410603)

structure representation with labelled terminal carbon atoms

25 May 2022

chemical structure

Butyraldehyde 200.svg
138 × 67; 4 KB

criterion used

0 references

Butanal-skeletal.png
1,255 × 741; 10 KB

criterion used

structure representation with unlabelled terminal carbon atoms

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image of molecular model or crystal lattice model

Butyraldehyde-3D-balls.png
919 × 611; 94 KB

depicts

ball-and-stick model

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chemical formula

C₄H₈O

1 reference

butyraldehyde (English)

19 November 2016

canonical SMILES

CCCC=O

1 reference

butyraldehyde (English)

19 November 2016

ionization energy

9.84 electronvolt

series ordinal

1

1 reference

Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook

electric dipole moment

2.72 debye

1 reference

Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook

density

0.8 gram per cubic centimetre

1 reference

https://az.wikipedia.org/?oldid=6648500

Azerbaijani Wikipedia

Wikimedia import URL

melting point

−99 degree Celsius

3 references

Russian Wikipedia

Jean-Claude Bradley Open Melting Point Dataset

Basic Laboratory and Industrial Chemicals: A CRC Quick Reference Handbook

boiling point

74.8 degree Celsius

under pressure

101.325 kilopascal

1 reference

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

3

3

0

no value

1 reference

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

1 reference

ginger

1 reference

Volatile constituents of Zingiber officinale

Coffea arabica

1 reference

New volatile components of roasted coffee

Ceraeochrysa smithi

1 reference

Chemical egg defense in a green lacewing (Ceraeochrysa smithi)

Gossypium hirsutum

1 reference

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

Spondias mombin

1 reference

Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)

Escherichia coli

1 reference

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Ligusticum chuanxiong

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Parkia speciosa

1 reference

Headspace constituents of Parkia speciosa seeds

Conioselinum anthriscoides

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Ligusticum striatum

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Lucensosergia lucens

1 reference

Volatile Components ofSergia lucensand Its Fermented Product

mass

72.057515 dalton

1 reference

butyraldehyde (English)

Brockhaus and Efron Encyclopedic Dictionary

4 October 2016

described by source

statement is subject of

Q24466474

0 references

Great Soviet Encyclopedia (1926–1947)

statement is subject of

0 references

0 references

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Butyraldehyde

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Identifiers

GND ID

4528271-7

1 reference

InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

0 references

1 reference

butyraldehyde (English)

19 November 2016

2 references

butyraldehyde (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

123-72-8

2 references

Global Substance Registration System

butyraldehyde (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=123-72-8

10 April 2021

1 reference

Butyraldehyde (English)

19 November 2016

2 references

butyraldehyde (English)

19 November 2016

Reaxys registry number

506061

1 reference

butanal (English)

4 October 2016

mapping relation type

2 references

BUTANAL (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

1 reference

BUTANAL (English)

19 November 2016

1 reference

7323870

1 reference

807

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP001477

1 reference

MassBank accession ID

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MSBNK-Fac_Eng_Univ_Tokyo-JP009320

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SPLASH

splash10-0006-9000000000-68ac34ab9def2e36ccc6

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splash10-0002-2900000000-6dd687b5afd856171273

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splash10-0002-1900000000-d64b8c5293749714544a

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splash10-0002-2900000000-33689f43c983a22378e7

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splash10-002f-9000000000-6e0649a0dc70c28fcae9

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splash10-0ab9-9000000000-e43f72b51db74df7e649

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splash10-052f-9000000000-038773fb1932929717e0

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splash10-000x-9000000000-f3c990a0bfba019420a9

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NMRShiftDB structure ID

10008865

1 reference

0 references

0 references

1 reference

Hazardous Substances Data Bank

1 reference

28 October 2019

BUTYRALDEHYDE (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

butyraldehyde (English)

ECHA Substance Infocard ID

19 November 2016

100.004.225

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.225

27 December 2018

PesticideInfo chemical ID

Butyraldehyde (English)

quotation

CAS no.: 123-72-8 (English)

FL number

05.003

1 reference

quotation

CAS no.: 123-72-8 (English)

23 January 2021

05.003

1 reference

28 December 2019

BUTYRALDEHYDE (English)

quotation

CAS no.: 123-72-8 (English)

0 references

1 reference

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Human Metabolome Database ID

HMDB0003543

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00050431

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

butyraldehyde (English)

19 November 2016

KEGG ID

C01412

1 reference

https://www.swisslipids.org/#/downloads

2 references

6 November 2021

Gran Enciclopèdia Catalana ID

1 reference

28 October 2013

butiraldehid

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Gran Enciclopèdia Catalana ID (former scheme)

0086689

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Great Norwegian Encyclopedia ID

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86

1 reference