2-Methyl-3-buten-1-ol - CAS 4516-90-9

Catalog:	BB025778
Product Name:	2-Methyl-3-buten-1-ol
CAS:	4516-90-9
Synonyms:	2-methylbut-3-en-1-ol

Technical Data

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Computed Properties

IUPAC Name:	2-methylbut-3-en-1-ol
Description:	2-Methyl-3-buten-1-ol (CAS# 4516-90-9 ) is a useful research chemical.
Molecular Weight:	86.13
Molecular Formula:	C5H10O
Canonical SMILES:	CC(CO)C=C
InChI:	InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3
InChI Key:	NVGOATMUHKIQQG-UHFFFAOYSA-N
Boiling Point:	120-121 °C / 756 mmHg (lit.)
Density:	0.835 g/cm³
MDL:	MFCD00009985
LogP:	0.80080

Publication Number	Title	Priority Date
CN-111978151-A	Preparation method of 3-methyl-2-butenol	20200918
KR-102243738-B1	Film Antenna Device and Method for Fabricating the Same	20200916
KR-20200110288-A	Film Antenna Device and Method for Fabricating the Same	20200916
US-2021284778-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311
US-2021284806-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311

PMID	Publication Date	Title	Journal
21912516	20110801	Chemical rescue of malaria parasites lacking an apicoplast defines organelle function in blood-stage Plasmodium falciparum	PLoS biology
18608767	20081201	Inhibitory effects on mushroom tyrosinase by flavones from the stem barks of Morus lhou (S.) Koidz	Journal of enzyme inhibition and medicinal chemistry
18494468	20080625	A strategy for position-selective epoxidation of polyprenols	Journal of the American Chemical Society

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	41.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.073164938
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	86.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1