2,5-dimethylhexa-2,4-diene

1,1,4,4-Tetramethylbuta-1,3-diene
2,4-Hexadiene, 2,5-dimethyl-
2,5-Dimethyl-2,4-hexadiene
Biisobutenyl
Biisocrotyl
Diisocrotyl

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DZPCYXCBXGQBRN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
IUPAC name chemrof:IUPAC_name	2,5-dimethylhexa-2,4-diene
Molecular formula chemrof:molecular_formula	C8H14
Molecular mass chemrof:molecular_mass	110.2
Monoisotopic mass chemrof:monoisotopic_mass	110.10955
SMILES string chemrof:smiles_string	CC(C)=CC=C(C)C

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=764-13-6	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88821	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.013	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3022116	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10812	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EE5YRI32X6	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0061902	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.958E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12992	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27160797	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
edde3cc4-a4e2-4417-8177-7dbb0a08d2ed	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
e98e5eb7-abf5-4dbc-9129-4bbde562cb74	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
d6213763-21fc-40fb-b60e-3ac9521c3b4d	Environmental → Air → Indoor	EF 3.1	kg	2
952c05cc-3254-4dd0-9d0e-3a3846c4f076	Environmental → Air → Long-term	EF 3.1	kg	0
28ee9017-859f-4a6b-a7ea-5acd58a0ceba	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3623ce47-9e06-4ba8-8c86-ccb86fe3a7e2	Environmental → Air → Unknown	EF 3.1	kg	2
17901f3a-0730-483e-81ff-3faba060c0ee	Environmental → Ground → Agricultural	EF 3.1	kg	2
f8b00f4f-058f-4f0d-a04e-9133f940f2a0	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
278b4e04-fac4-4a63-bc30-923fd2a4da10	Environmental → Ground → Unknown	EF 3.1	kg	2
66003cb7-49e9-464e-a983-b805d6cfb55e	Environmental → Water → Long-term	EF 3.1	kg	0
770fc538-45cc-4408-b9f2-e935f7b4c7f1	Environmental → Water → Ocean	EF 3.1	kg	2
520c2d66-b48e-4c77-adf3-cc291dd969c2	Environmental → Water → Surface water	EF 3.1	kg	2
ffe27d82-9b95-4d7e-b08a-9a6f9efb18e3	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-12d70e35b083d6af",
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  ],
  "altLabel": [
    {
      "@value": "1,1,4,4-Tetramethylbuta-1,3-diene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
      "@value": "2,4-Hexadiene, 2,5-dimethyl-",
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}

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2,5-dimethylhexa-2,4-diene

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Structure

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