3,3-dimethylbut-1-yne

1-Butyne, 3,3-dimethyl-
2,2-Dimethyl-3-butyne
3,3,3-Trimethylpropyne
3,3-Dimethyl-1-butyne
3,3-Dimethylbutyne
Neohexyne
tert-Butylacetylene
tert-Butylethyne

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PPWNCLVNXGCGAF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
IUPAC name chemrof:IUPAC_name	3,3-dimethylbut-1-yne
Molecular formula chemrof:molecular_formula	C6H10
Molecular mass chemrof:molecular_mass	82.146
Monoisotopic mass chemrof:monoisotopic_mass	82.07825
SMILES string chemrof:smiles_string	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=51730-68-8	enrich_references.pubchem_identifier_url
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=917-92-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.851	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70238671	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1908221	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PX4NL23U52	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J132.792E	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13512	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72469598	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4612fced-162b-4558-b1ec-5721e20355b0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
2e9f9296-3b13-41ca-b455-95a6668adc94	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7d162755-90e4-48db-9669-c5e9cb526513	Environmental → Air → Indoor	EF 3.1	kg	2
0500f2d4-35e4-4746-81f6-bc223fca5f01	Environmental → Air → Long-term	EF 3.1	kg	0
c9cc154c-37d5-44d3-af89-c4f19c43bf00	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4f8863d1-6e47-41d0-8e66-b946b4cc49ff	Environmental → Air → Unknown	EF 3.1	kg	2
49aa2c67-9d40-4964-b6d2-2a4259ae9932	Environmental → Ground → Agricultural	EF 3.1	kg	2
8461dea3-4c8f-4a8a-acc5-fbd8a5a44a44	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
f4ad5983-21df-4521-8b49-c340c9449e8e	Environmental → Ground → Unknown	EF 3.1	kg	2
994f1f5a-858f-4e4c-9ee4-c7c80acc4079	Environmental → Water → Long-term	EF 3.1	kg	0
1aeadf9c-aa1f-42e3-a782-188c0b400178	Environmental → Water → Ocean	EF 3.1	kg	2
10fa2ca9-4c67-4c9e-a992-09524b547de7	Environmental → Water → Surface water	EF 3.1	kg	2
7ba3e15e-76fa-4c81-bad7-be6d3c094b1f	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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3,3-dimethylbut-1-yne

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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