3-methylpentanal (Q22131870)

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chemical compound

• 3-Methylvaleraldehyde

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Language	Label	Description	Also known as
English	3-methylpentanal	chemical compound	3-Methylvaleraldehyde

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic aldehyde

0 references

mass

100.088815±0 dalton

1 reference

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

chemical formula

C₆H₁₂O

1 reference

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

canonical SMILES

CCC(C)CC=O

1 reference

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

found in taxon

Plakortis lita

1 reference

stated in

Comparative Study on the Volatile Metabolites of Two Marine Sponge Species of the GenusPlakortis

Achillea biebersteinii

1 reference

stated in

Constituents of the Essential Oil of Achillea biebersteinii Afan.

Achillea arabica

1 reference

stated in

Constituents of the Essential Oil of Achillea biebersteinii Afan.

Identifiers

InChI

InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3

1 reference

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

CAS Registry Number

15877-57-3

1 reference

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=15877-57-3

ChemSpider ID

25614

1 reference

stated in

ChemSpider

ChemSpider ID

25614

language of work or name

English

title

3-Ethylbutanal (English)

retrieved

21 September 2016

PubChem CID

27523

2 references

stated in

PubChem

PubChem CID

27523

language of work or name

English

title

Pentanal, 3-methyl- (English)

retrieved

21 September 2016

matched by identifier from

InChIKey

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL263198

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

UniChem compound ID

23445222

1 reference

stated in

UniChem

NMRShiftDB structure ID

74221

1 reference

matched by identifier from

InChIKey

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70871249

1 reference

matched by identifier from

InChIKey

InChIKey

YJWJGLQYQJGEEP-UHFFFAOYSA-N

NSC number

102764

0 references

EC number

240-014-6

0 references

ECHA Substance Infocard ID

100.036.361

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.036.361

retrieved

27 December 2018

title

3-methylvaleraldehyde (English)

quotation

CAS no.: 15877-57-3 (English)

 

Sitelinks

Wikipedia(1 entry)

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• zhwiki 3-甲基戊醛

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