2,2,4-trimethylpentane - Wikidata

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In other projects Appearance move to sidebar hide From Wikidata chemical compound

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

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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.svg216 × 92; 9 KB 1 reference imported from Wikimedia project German Wikipedia 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 ginger 1 reference stated in Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale 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 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 SureChEMBL ID 2713018 1 reference matched by identifier from InChIKey InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N 23992 1 reference matched by identifier from InChIKey InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N 2686745 1 reference matched by identifier from InChIKey InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N 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) J-GLOBAL ID 200907016437552219 0 references 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 Microsoft Academic ID (discontinued) 2781221050 0 references

Sitelinks

Wikipedia(39 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
• 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
• kkwiki Изооктан
• 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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