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2,2,4-trimethylpentane
(Q209130)
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From Wikidata
chemical compound
(CH3)2CHCH2C(CH3)3
Isobutyltrimethylmethane
iso-octane
isooctane
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
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
(38 entries)
edit
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
euwiki
Isooktano
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
Wikibooks
(0 entries)
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(0 entries)
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Wikisource
(0 entries)
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(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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2,2,4-trimethylpentane
(Q209130)
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