(Q209130)

Gene Ontology release 2019-11-16

cellular response to isooctane

subject has role

reactant

1 reference

Gene Ontology release 2019-11-16

chemical structure

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

1 reference

German Wikipedia

mass

114.141 dalton

1 reference

2,2,4-Trimethylpentane (English)

7 October 2016

chemical formula

C₈H₁₈

1 reference

2,2,4-Trimethylpentane (English)

20 November 2016

canonical SMILES

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

1 reference

2,2,4-Trimethylpentane (English)

20 November 2016

ionization energy

9.86 electronvolt

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.688 gram per cubic centimetre

1 reference

melting point

−107.38 degree Celsius

1 reference

−107.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−107.3 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

99.3 degree Celsius

1 reference

99.22 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

refractive index

1.39145

1 reference

flash point

4.5 degree Celsius

1 reference

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

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

1 reference

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:Isooctane

0 references

Identifiers

InChI

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

1 reference

2,2,4-Trimethylpentane (English)

NHTMVDHEPJAVLT-UHFFFAOYSA-N

20 November 2016

InChIKey

2 references

2,2,4-Trimethylpentane (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

540-84-1

2 references

Global Substance Registration System

2,2,4-trimethylpentane (English)

NHTMVDHEPJAVLT-UHFFFAOYSA-N

20 November 2016

InChIKey

9 April 2021

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

1 reference

2,2,4-Trimethylpentane (English)

20 November 2016

1 reference

2,2,4-Trimethylpentane (English)

20 November 2016

Reaxys registry number

1696876

1 reference

isooctane (English)

7 October 2016

mapping relation type

1 reference

CHEMBL1797261 (English)

20 November 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP012147

CHEMBL1797261 (English)

20 November 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005324

0 references

SPLASH

splash10-0a4j-9100000000-55c664cd897221a3bcdf

0 references

0 references

0 references

1262

1 reference

English Wikipedia

RTECS number

SA3320000

1 reference

Spanish Wikipedia

ZVG number

13510

1 reference

Hazardous Substances Data Bank

1 reference

28 October 2019

ISO-OCTANE (English)

10 May 2021

1 reference

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

DSSTOX compound identifier

0 references

0 references

208-759-1

1 reference

Global Substance Registration System

2,2,4-trimethylpentane (English)

ECHA Substance Infocard ID

20 November 2016

100.007.964

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.964

27 December 2018

AICS Chemical ID (BEING DELETED)

2,2,4-trimethylpentane (English)

quotation

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

1 reference

28 December 2019

ISOOCTANE (English)

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

UM-BBD compound ID

c1078

0 references

4749

0 references

Human Metabolome Database ID

HMDB0245342

1 reference

based on heuristic

inferred from InChIKey

1 reference

Global Substance Registration System

2,2,4-trimethylpentane (English)