(4R,5S)-5-butyl-4-methyloxolan-2-one (Q7833482)

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chemical compound

• trans-(−)-5-butyl-4-methyloxolan-2-one

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Language	Label	Description	Also known as
English	(4R,5S)-5-butyl-4-methyloxolan-2-one	chemical compound	trans-(−)-5-butyl-4-methyloxolan-2-one

Statements

instance of

type of chemical entity

0 references

subclass of

trans-5-butyl-4-methyloxolan-2-one

0 references

chemical structure

(3R,4S)-Quercuslactone Structural Formulea V.1.svg
454 × 199; 15 KB

0 references

mass

156.115 dalton

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

color

colorless

temperature

20 degree Celsius

phase of matter

liquid

1 reference

stated in

A Concise Synthesis of (-)- and (+)-trans-Whisky Lactones

stereoisomer of

(4R,5R)-5-butyl-4-methyloxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,5S)-5-butyl-4-methyloxolan-2-one

1 reference

based on heuristic

inferred from InChI

(4S,5R)-5-butyl-4-methyloxolan-2-one

0 references

chemical formula

C₉H₁₆O₂

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

canonical SMILES

CCCCC1C(CC(=O)O1)C

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

isomeric SMILES

CCCC[C@H]1[C@@H](CC(=O)O1)C

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

specific rotation

−82.5 degree

temperature

20 degree Celsius

wavelength

589 nanometre

solvent

methanol

concentration

1.02 gram per 100 millilitres

1 reference

stated in

A Concise Synthesis of (-)- and (+)-trans-Whisky Lactones

found in taxon

Quercus mongolica

1 reference

stated in

Branched nonalactones from some Quercus species

Quercus serrata

1 reference

stated in

Branched nonalactones from some Quercus species

Identifiers

InChI

InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

InChIKey

WNVCMFHPRIBNCW-SFYZADRCSA-N

1 reference

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

CAS Registry Number

105119-22-0

2 references

stated in

Global Substance Registration System

UNII

9OQS29SV9M

language of work or name

English

title

trans-(-)-5-butyl-4-methyldihydro-2(3H)-furanone (English)

retrieved

14 October 2016

InChIKey

WNVCMFHPRIBNCW-SFYZADRCSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=105119-22-0

ChemSpider ID

9280733

1 reference

stated in

ChemSpider

ChemSpider ID

9280733

language of work or name

English

title

trans-3-Methyl-4-octanolide (English)

retrieved

14 October 2016

PubChem CID

11105597

2 references

stated in

PubChem

PubChem CID

11105597

language of work or name

English

title

UNII-9OQS29SV9M (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WNVCMFHPRIBNCW-SFYZADRCSA-N

UniChem compound ID

13743487

1 reference

stated in

UniChem

SpectraBase compound ID

7xaNAIWHf7g

0 references

DSSTox substance ID

DTXSID20146959

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

WNVCMFHPRIBNCW-SFYZADRCSA-N

DSSTOX compound identifier

DTXCID6069450

0 references

UNII

9OQS29SV9M

2 references

stated in

Global Substance Registration System

UNII

9OQS29SV9M

language of work or name

English

title

trans-(-)-5-butyl-4-methyldihydro-2(3H)-furanone (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WNVCMFHPRIBNCW-SFYZADRCSA-N

Freebase ID

/m/0g56rym

0 references

 

Sitelinks

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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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