4-Methyl-1-pentyne - CAS 7154-75-8

Catalog:	BB034424
Product Name:	4-Methyl-1-pentyne
CAS:	7154-75-8
Synonyms:	4-methylpent-1-yne

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Computed Properties

IUPAC Name:	4-methylpent-1-yne
Description:	4-Methyl-1-pentyne (CAS# 7154-75-8) is a useful research chemical.
Molecular Weight:	82.14
Molecular Formula:	C6H10
Canonical SMILES:	CC(C)CC#C
InChI:	InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChI Key:	OXRWICUICBZVAE-UHFFFAOYSA-N
Boiling Point:	61-62 °C (lit.)
Purity:	> 98.0 % (GC)
Density:	0.698 g/mL at 25 °C (lit.)
Appearance:	Colorless liquid
Storage:	Refrigerator
MDL:	MFCD00039857
LogP:	1.66570

Publication Number	Title	Priority Date
CN-113332346-A	Slimming and weight-losing essential oil and preparation method thereof	20210611
CN-213222199-U	Reaction device of vinyl ether compound	20200811
WO-2021154959-A1	Molecular mobility enhancer or molecular drying enhancer	20200128
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
JP-2019203030-A	Pest control method using alkyne compound	20190906

PMID	Publication Date	Title	Journal
11929230	20020410	Ruthenium-mediated cycloaromatization of acyclic enediynes and dienynes at ambient temperature	Journal of the American Chemical Society

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	61.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	82.078250319
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	82.078250319
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1