(Q72434299)

English

1-Acetoxy-2-butanone

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic acyclic ester

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biogenic acyclic ketone

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mass

130.06299418 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆H₁₀O₃

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canonical SMILES

CCC(=O)COC(=O)C

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found in taxon

Coffea arabica

1 reference

stated in

New volatile components of roasted coffee

Identifiers

InChI

InChI=1S/C6H10O3/c1-3-6(8)4-9-5(2)7/h3-4H2,1-2H3

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InChIKey

LHGWJCBYBIICPP-UHFFFAOYSA-N

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CAS Registry Number

1575-57-1

1 reference

InChIKey

LHGWJCBYBIICPP-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1575-57-1

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1 reference

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DSSTOX compound identifier

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605-102-4

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.125.889

retrieved

29 December 2019

title

2-oxobutyl acetate (English)

quotation

CAS no.: 1575-57-1 (English)

ECHA Substance Infocard ID

100.125.889

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.125.889

retrieved

29 December 2019

title

2-oxobutyl acetate (English)

quotation

CAS no.: 1575-57-1 (English)

KNApSAcK ID

C00060142

1 reference

based on heuristic

inferred from InChIKey

(Q72434299)

1-Acetoxy-2-butanone

Statements

Identifiers

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