acetone cyanohydrin (Q222936)

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chemical compound

• Cyanohydrin-2-propanone
• 2-Cyano-2-propanol
• α-Hydroxyisobutyronitrile
• 2-Hydroxy-2-methyl-propionitrile
• 2-Methyllactonitrile
• alpha-Hydroxyisobutyronitrile
• p-Hydroxyisobutyronitrile
• Acetone Cyanohydrin

edit

Language	Label	Description	Also known as
English	acetone cyanohydrin	chemical compound	Cyanohydrin-2-propanone 2-Cyano-2-propanol α-Hydroxyisobutyronitrile 2-Hydroxy-2-methyl-propionitrile 2-Methyllactonitrile alpha-Hydroxyisobutyronitrile p-Hydroxyisobutyronitrile Acetone Cyanohydrin

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

part of

linamarin synthase activity

1 reference

stated in

Gene Ontology release 2020-05-02

Rhea release 113

acetone-cyanohydrin acetone-lyase (cyanide-forming) activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

2-methylpropionitrile hydroxylase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

retrieved

1 February 2021

chemical structure

Structural formula of acetone cyanohydrin.svg
181 × 131; 7 KB

0 references

Acetone-cyanohydrin-2D-skeletal.png
1,027 × 1,088; 16 KB

0 references

image of molecular model or crystal lattice model

Acetone-cyanohydrin-3D-balls.png
2,000 × 1,961; 501 KB

depicts

ball-and-stick model

0 references

mass

85.053 dalton

1 reference

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

19 October 2016

associated hazard

acetone cyanohydrin exposure

0 references

has effect

acetone cyanohydrin exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

chemical formula

C₄H₇NO

1 reference

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

canonical SMILES

CC(C)(C#N)O

1 reference

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

density

0.93±0.01 gram per cubic centimetre

temperature

77±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

melting point

−4±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

boiling point

203±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

vapor pressure

0.8±0.1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

flash point

165±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

lower flammable limit

2.2±0.1 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

upper flammable limit

12±1 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

safety classification and labelling

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

NFPA Health

4

NFPA Fire

1

NFPA Instability

2

1 reference

imported from Wikimedia project

English Wikipedia

NIOSH Pocket Guide ID

0005

0 references

short-term exposure limit

1±1 parts per million

duration

15±1 minute

applies to jurisdiction

United States of America

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

4.7±0.1 parts per million

applies to jurisdiction

Denmark

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

16.7±0.1 milligram per cubic metre

applies to jurisdiction

Hungary

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

0.9±0.1 milligram per cubic metre

applies to jurisdiction

Russia

route of administration

skin absorption

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

time-weighted average exposure limit

5±1 milligram per cubic metre

applies to jurisdiction

Australia

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

16.7±0.1 milligram per cubic metre

applies to jurisdiction

Hungary

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

ceiling exposure limit

4±1 milligram per cubic metre

applies to jurisdiction

no value

duration

15±1 minute

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

minimal lethal dose

63±1 parts per million

duration

4±1 hour

route of administration

inhalation

applies to taxon

laboratory rat

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

median lethal dose (LD50)

70±1 milligram per cubic metre

duration

2±1 hour

route of administration

inhalation

applies to taxon

laboratory mouse

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

1±1 milligram per kilogram

route of administration

intraperitoneal injection

applies to taxon

laboratory mouse

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

9±1 milligram per kilogram

route of administration

oral administration

applies to taxon

guinea pig

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

1.898±0.001 milligram per kilogram

route of administration

oral administration

applies to taxon

laboratory mouse

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

5.9±0.1 milligram per kilogram

route of administration

oral administration

applies to taxon

laboratory rat

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

13.5±0.1 milligram per kilogram

route of administration

oral administration

applies to taxon

rabbit

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

8.5±0.1 milligram per kilogram

route of administration

subcutaneous injection

applies to taxon

laboratory rat

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

150±1 milligram per kilogram

route of administration

skin absorption

applies to taxon

guinea pig

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

0.017±0.001 milligram per kilogram

route of administration

skin absorption

applies to taxon

rabbit

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

2.9±0.1 milligram per kilogram

applies to taxon

laboratory mouse

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

13.3±0.1 milligram per kilogram

applies to taxon

laboratory rat

1 reference

reference URL

http://www.cdc.gov/niosh-rtecs/OD8D8678.html

has characteristic

Class IIIA combustible liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0005.html

has part(s)

nitrogen

0 references

carbon

0 references

Commons category

Acetone cyanohydrin

0 references

Identifiers

InChI

InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

1 reference

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

75-86-5

2 references

stated in

Global Substance Registration System

UNII

CO1YOV1KFI

language of work or name

English

title

acetone cyanohydrin (English)

retrieved

18 November 2016

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=75-86-5

ChemSpider ID

6166

1 reference

stated in

ChemSpider

ChemSpider ID

6166

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

PubChem CID

6406

2 references

stated in

PubChem

PubChem CID

6406

language of work or name

English

title

ACETONE CYANOHYDRIN (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

Reaxys registry number

605391

1 reference

imported from Wikimedia project

English Wikipedia

ChEBI ID

15348

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL1231861

language of work or name

English

title

DIMETHYLKETONE CYANOHYDRIN (English)

retrieved

18 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

ChEMBL ID

CHEMBL1231861

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1231861

language of work or name

English

title

DIMETHYLKETONE CYANOHYDRIN (English)

retrieved

18 November 2016

UniChem compound ID

653454

1 reference

stated in

UniChem

SPLASH

splash10-006x-9000000000-9aa3eca8406a4215b9c3

0 references

NMRShiftDB structure ID

20096839

1 reference

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

ICSC ID

0611

0 references

CAMEO Chemicals ID

2278

0 references

UN number

1541

1 reference

imported from Wikimedia project

English Wikipedia

RTECS number

OD9275000

1 reference

imported from Wikimedia project

English Wikipedia

ZVG number

27250

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

971

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

971

publication date

28 October 2019

title

ACETONE CYANOHYDRIN (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID7025427

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID705427

0 references

NSC number

977

0 references

7080

0 references

131093

0 references

EC number

200-909-4

1 reference

stated in

Global Substance Registration System

UNII

CO1YOV1KFI

language of work or name

English

title

acetone cyanohydrin (English)

retrieved

18 November 2016

ECHA Substance Infocard ID

100.000.828

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.000.828

retrieved

27 December 2018

title

2-hydroxy-2-methylpropionitrile (English)

quotation

CAS no.: 75-86-5 (English)

DrugBank ID

DB02203

1 reference

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0060427

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

UNII

CO1YOV1KFI

2 references

stated in

Global Substance Registration System

UNII

CO1YOV1KFI

language of work or name

English

title

acetone cyanohydrin (English)

retrieved

18 November 2016

matched by identifier from

InChIKey

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

Probes And Drugs ID

PD008134

0 references

KEGG ID

C02659

1 reference

imported from Wikimedia project

English Wikipedia

PDB ligand ID

CNH

0 references

Freebase ID

/m/02pv4tx

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

2540

0 references

KBpedia ID

AcetoneCyanohydrin

1 reference

stated in

KBpedia

retrieved

9 July 2020

Microsoft Academic ID

2779148722

0 references

PDB structure ID

1E8D

1 reference

stated in

Protein Data Bank

PDB structure ID

1E8D

language of work or name

English

title

1E8D (English)

retrieved

19 October 2016

1SCQ

1 reference

stated in

Protein Data Bank

PDB structure ID

1SCQ

language of work or name

English

title

1SCQ (English)

retrieved

19 October 2016

1SC9

1 reference

stated in

Protein Data Bank

PDB structure ID

1SC9

language of work or name

English

title

1SC9 (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(18 entries)

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• azbwiki استون سیانوهیدرین
• cswiki Acetonkyanhydrin
• dewiki Acetoncyanhydrin
• enwiki Acetone cyanohydrin
• euwiki Azetona zianohidrina
• fawiki استون سیانوهیدرین
• fiwiki Asetonisyanohydriini
• frwiki Cyanhydrine d'acétone
• huwiki Aceton-ciánhidrin
• jawiki アセトンシアノヒドリン
• lvwiki Acetonciānhidrīns
• nlwiki Acetoncyanohydrine
• ruwiki Ацетонциангидрин
• shwiki Aceton cijanohidrin
• slwiki Aceton cianohidrin
• srwiki Aceton cijanohidrin
• tawiki அசிட்டோன் சயனோயைதரின்
• zhwiki 丙酮氰醇

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:Acetone cyanohydrin

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