3-Methyl-5-hexen-3-ol - CAS 1569-44-4

Catalog:	BB011280
Product Name:	3-Methyl-5-hexen-3-ol
CAS:	1569-44-4
Synonyms:	3-methylhex-5-en-3-ol

Technical Data

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Computed Properties

IUPAC Name:	3-methylhex-5-en-3-ol
Description:	3-Methyl-5-hexen-3-ol (CAS# 1569-44-4) is a useful research chemical.
Molecular Weight:	114.19
Molecular Formula:	C7H14O
Canonical SMILES:	CCC(C)(CC=C)O
InChI:	InChI=1S/C7H14O/c1-4-6-7(3,8)5-2/h4,8H,1,5-6H2,2-3H3
InChI Key:	GBARKLJMQRUBKV-UHFFFAOYSA-N
Boiling Point:	149.5 °C at 760 mmHg
Purity:	95 %
Density:	0.835 g/mL at 25 °C (lit.)
MDL:	MFCD00021826
LogP:	1.72350

Publication Number	Title	Priority Date
US-2021189128-A1	Crosslinkable compositions	20191223
WO-2021109530-A1	Process for preparing alcohol by hydrolysis of metal organic product	20191206
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
WO-2021083358-A1	Method for preparing olefin-polar monomer copolymer	20191031

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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:	78.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.104465066
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.104465066
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8