2,2,4-trimethylpentane (Q209130)

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chemical compound

• (CH3)2CHCH2C(CH3)3
• Isobutyltrimethylmethane
• iso-octane
• isooctane

edit

Language	Label	Description	Also known as
English	2,2,4-trimethylpentane	chemical compound	(CH3)2CHCH2C(CH3)3 Isobutyltrimethylmethane iso-octane isooctane

Statements

instance of

type of chemical entity

0 references

subclass of

octane

0 references

part of

response to isooctane

subject has role

reactant

1 reference

stated in

Gene Ontology release 2019-11-16

cellular response to isooctane

subject has role

reactant

1 reference

stated in

Gene Ontology release 2019-11-16

chemical structure

2,2,4-Trimethylpentan.svg
216 × 92; 9 KB

1 reference

imported from Wikimedia project

German Wikipedia

mass

114.141 dalton

1 reference

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

7 October 2016

chemical formula

C₈H₁₈

1 reference

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

canonical SMILES

CC(C)CC(C)(C)C

1 reference

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

ionization energy

9.86 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.688 gram per cubic centimetre

1 reference

imported from Wikimedia project

Russian Wikipedia

melting point

−107.38 degree Celsius

1 reference

imported from Wikimedia project

Russian Wikipedia

−107.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

−107.3 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

99.3 degree Celsius

1 reference

imported from Wikimedia project

Russian Wikipedia

99.22 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

refractive index

1.39145

1 reference

imported from Wikimedia project

Russian Wikipedia

flash point

4.5 degree Celsius

1 reference

imported from Wikimedia project

Russian Wikipedia

safety classification and labelling

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

NFPA Health

1

NFPA Fire

3

NFPA Instability

0

1 reference

imported from Wikimedia project

English Wikipedia

found in taxon

Zingiber officinale

1 reference

stated in

Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale

described by source

Armenian Soviet Encyclopedia, vol. 4

page(s)

317

0 references

has part(s)

carbon

0 references

Commons category

2,2,4-Trimethylpentane

0 references

topic's main category

Category:2,2,4-Trimethylpentane

0 references

Identifiers

InChI

InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

1 reference

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

540-84-1

2 references

stated in

Global Substance Registration System

UNII

QAB8F5669O

language of work or name

English

title

2,2,4-trimethylpentane (English)

retrieved

20 November 2016

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=540-84-1

ChemSpider ID

10445

1 reference

stated in

ChemSpider

ChemSpider ID

10445

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

PubChem CID

10907

2 references

stated in

PubChem

PubChem CID

10907

language of work or name

English

title

2,2,4-Trimethylpentane (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

Reaxys registry number

1696876

1 reference

stated in

ChEBI

ChEBI ID

62805

language of work or name

English

title

isooctane (English)

retrieved

7 October 2016

ChEBI ID

62805

mapping relation type

exact match

2 references

stated in

ChEMBL

ChEMBL ID

CHEMBL1797261

language of work or name

English

title

CHEMBL1797261 (English)

retrieved

20 November 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

ChEMBL ID

CHEMBL1797261

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL1797261

language of work or name

English

title

CHEMBL1797261 (English)

retrieved

20 November 2016

UniChem compound ID

1101327

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP012147

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005324

0 references

SPLASH

splash10-0a4j-9100000000-55c664cd897221a3bcdf

0 references

NMRShiftDB structure ID

10016368

1 reference

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

ICSC ID

0496

0 references

CAMEO Chemicals ID

941

0 references

UN number

1262

1 reference

imported from Wikimedia project

English Wikipedia

RTECS number

SA3320000

1 reference

imported from Wikimedia project

Spanish Wikipedia

ZVG number

13510

1 reference

imported from Wikimedia project

German Wikipedia

HSDB ID

5682

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

5682

publication date

28 October 2019

title

ISO-OCTANE (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID7024370

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID104370

0 references

NSC number

39117

0 references

EC number

208-759-1

1 reference

stated in

Global Substance Registration System

UNII

QAB8F5669O

language of work or name

English

title

2,2,4-trimethylpentane (English)

retrieved

20 November 2016

ECHA Substance Infocard ID

100.007.964

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.964

retrieved

27 December 2018

title

2,2,4-trimethylpentane (English)

quotation

CAS no.: 540-84-1 (English)

CosIng number

34670

1 reference

stated in

CosIng database

CosIng number

34670

retrieved

28 December 2019

title

ISOOCTANE (English)

quotation

CAS no.: 540-84-1 (English)

Nikkaji ID

J6.389D

0 references

UM-BBD compound ID

c1078

0 references

Human Metabolome Database ID

HMDB0245342

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

KNApSAcK ID

C00062137

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

UNII

QAB8F5669O

2 references

stated in

Global Substance Registration System

UNII

QAB8F5669O

language of work or name

English

title

2,2,4-trimethylpentane (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

NHTMVDHEPJAVLT-UHFFFAOYSA-N

Encyclopædia Britannica Online ID

science/isooctane

subject named as

isooctane

0 references

Freebase ID

/m/06b1dh

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

4616

0 references

J-GLOBAL ID

200907016437552219

0 references

Microsoft Academic ID

2781221050

0 references

 

Sitelinks

Wikipedia(37 entries)

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• arwiki 4،2،2-ثلاثي ميثيل البنتان
• azwiki İzooktan
• bewiki Ізаактан
• bnwiki আইসোঅক্টেন
• cswiki Isooktan
• dawiki Isooktan
• dewiki 2,2,4-Trimethylpentan
• enwiki 2,2,4-Trimethylpentane
• eowiki 2,2,4-Trimetilpentano
• eswiki 2,2,4-trimetilpentano
• fawiki ۴٬۲٬۲-تری‌متیل‌پنتان
• fiwiki 2,2,4-trimetyylipentaani
• frwiki Isooctane
• gawiki 2,2,4- trímheitilpeantán
• hiwiki 2,2,4-ट्राइमिथाइलपेन्टेन
• huwiki 2,2,4-Trimetilpentán
• hywiki Իզոօկտան
• idwiki 2,2,4-Trimetilpentana
• itwiki Isoottano
• jawiki イソオクタン
• kowiki 아이소옥테인
• kywiki Изооктан
• mswiki Iso-oktana
• nlwiki 2,2,4-trimethylpentaan
• plwiki Izooktan
• ptwiki 2,2,4-Trimetilpentano
• rowiki 2,2,4-trimetilpentan
• ruwiki Изооктан
• shwiki 2,2,4-Trimetilpentan
• skwiki Izooktán
• srwiki 2,2,4-Trimetilpentan
• svwiki Isooktan
• trwiki 2,2,4-Trimetilpentan
• ukwiki Ізооктан
• uzwiki Izooktan
• viwiki 2,2,4-Trimethylpentan
• zhwiki 2,2,4-三甲基戊烷

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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(0 entries)

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