4-Methyl-3-penten-1-ol - CAS 763-89-3

Catalog:	BB035561
Product Name:	4-Methyl-3-penten-1-ol
CAS:	763-89-3
Synonyms:	4-methylpent-3-en-1-ol

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Computed Properties

IUPAC Name:	4-methylpent-3-en-1-ol
Description:	4-Methyl-3-penten-1-ol (CAS# 763-89-3 ) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	CC(=CCCO)C
InChI:	InChI=1S/C6H12O/c1-6(2)4-3-5-7/h4,7H,3,5H2,1-2H3
InChI Key:	FKKLUOCEIANSFL-UHFFFAOYSA-N
Boiling Point:	157 °C (lit.)
Density:	0.858 g/mL at 25 °C(lit.)
MDL:	MFCD00012292
LogP:	1.33500

Publication Number	Title	Priority Date
WO-2021182144-A1	Manufacturing method and manufacturing device for organic esters	20200310
WO-2021178774-A1	Compositions and systems for disinfection	20200305
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
JP-2020111642-A	Olefin-based random copolymer, olefin-based resin composition, olefin-based resin composite, and automobile member	20190109

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	60.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5