tert-butyl acetate (Q285657)

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chemical compound

• t-butyl acetate
• tert-butyl ester of acetic acid

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Language	Label	Description	Also known as
English	tert-butyl acetate	chemical compound	t-butyl acetate tert-butyl ester of acetic acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

Tert-Butyl acetate Structural Formula V.1.svg
339 × 170; 20 KB

criterion used

structure representation with labelled terminal carbon atoms

reason for preferred rank

preferred chemical structure representation

1 reference

imported from Wikimedia project

German Wikipedia

Tert-Butylacetat.svg
101 × 65; 4 KB

criterion used

structure representation with unlabelled terminal carbon atoms

0 references

image of molecular model or crystal lattice model

Tert-Butyl acetate 3D ball.png
2,000 × 1,268; 413 KB

depicts

ball-and-stick model

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mass

116.084 dalton

1 reference

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

associated hazard

tert-butyl acetate exposure

0 references

has effect

tert-butyl acetate exposure

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

canonical SMILES

CC(=O)OC(C)(C)C

1 reference

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

density

0.87±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

melting point

−62.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

boiling point

208±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

flash point

72±1 degree Fahrenheit

determination method

Pensky–Martens closed-cup test

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

lower flammable limit

1.5±0.1 volume percent

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

NIOSH Pocket Guide ID

0074

0 references

time-weighted average exposure limit

950±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

10±1 hour

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

immediately dangerous to life or health

7,125±1 milligram per cubic metre

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

has characteristic

Class IB flammable liquid

1 reference

reference URL

http://www.cdc.gov/niosh/npg/npgd0074.html

has part(s)

carbon

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hydrogen

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oxygen

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Commons category

Tert-Butyl acetate

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Identifiers

InChI

InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3

1 reference

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

CAS Registry Number

540-88-5

2 references

stated in

Global Substance Registration System

UNII

76N22HKP3X

language of work or name

English

title

tert-butyl acetate (English)

retrieved

14 October 2016

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=540-88-5

ChemSpider ID

10446

1 reference

stated in

ChemSpider

ChemSpider ID

10446

language of work or name

English

title

tert-Butylacetat (English)

retrieved

14 October 2016

PubChem CID

10908

2 references

stated in

PubChem

PubChem CID

10908

language of work or name

English

title

540-88-5 (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

ChEMBL ID

CHEMBL3186747

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL3186747

language of work or name

English

title

CHEMBL3186747 (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL26684

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

UniChem compound ID

8570325

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP001305

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001525

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MSBNK-Fac_Eng_Univ_Tokyo-JP005166

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007070

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MSBNK-Fac_Eng_Univ_Tokyo-JP005830

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SPLASH

splash10-052f-9000000000-cfe87856bed7b9706c96

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splash10-0a4l-9000000000-4ca2c6c1dc82d9a3fd65

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splash10-0a4l-9000000000-757f50eb0b5073d948ce

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splash10-052f-9000000000-d84d771268471c3e5ca5

0 references

NMRShiftDB structure ID

10016817

1 reference

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

ICSC ID

1445

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CAMEO Chemicals ID

8347

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RTECS number

AF7400000

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ZVG number

36860

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HSDB ID

835

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

835

publication date

28 October 2019

title

TERT-BUTYL ACETATE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID1022055

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID702055

0 references

NSC number

59719

0 references

EC number

208-760-7

1 reference

stated in

Global Substance Registration System

UNII

76N22HKP3X

language of work or name

English

title

tert-butyl acetate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.007.965

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.965

retrieved

27 December 2018

title

tert-butyl acetate (English)

quotation

CAS no.: 540-88-5 (English)

OSHA Occupational Chemical Database ID

395

0 references

CosIng number

60074

1 reference

stated in

CosIng database

CosIng number

60074

retrieved

28 December 2019

title

T-BUTYL ACETATE (English)

quotation

CAS no.: 540-88-5 (English)

Human Metabolome Database ID

HMDB0258840

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

UNII

76N22HKP3X

2 references

stated in

Global Substance Registration System

UNII

76N22HKP3X

language of work or name

English

title

tert-butyl acetate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

WMOVHXAZOJBABW-UHFFFAOYSA-N

Freebase ID

/m/09zb5r

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

38

0 references

Microsoft Academic ID

2776895113

0 references

2909995095

0 references

 

Sitelinks

Wikipedia(13 entries)

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• azbwiki ترت-بوتیل استات
• dewiki Essigsäure-tert-butylester
• enwiki Tert-Butyl acetate
• eowiki T-Butila acetato
• fawiki Tert-بوتیل استات
• fiwiki Tert-butyyliasetaatti
• frwiki Acétate de tert-butyle
• jawiki 酢酸tert-ブチル
• plwiki Octan tert-butylu
• shwiki Tert-Butil acetat
• srwiki Tert-Butil acetat
• tawiki டெர்ட்-பியூட்டைல் அசிட்டேட்டு
• zhwiki 乙酸叔丁酯

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:Tert-Butyl acetate

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