4-Methyl-1-heptyn-3-ol - CAS 87777-46-6

Catalog:	BB038629
Product Name:	4-Methyl-1-heptyn-3-ol
CAS:	87777-46-6
Synonyms:	4-methylhept-1-yn-3-ol

Technical Data

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Computed Properties

IUPAC Name:	4-methylhept-1-yn-3-ol
Description:	4-Methyl-1-heptyn-3-ol (CAS# 87777-46-6 ) is a useful research chemical.
Molecular Weight:	126.20
Molecular Formula:	C8H14O
Canonical SMILES:	CCCC(C)C(C#C)O
InChI:	InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h2,7-9H,4,6H2,1,3H3
InChI Key:	WONUPNLSAKXVSN-UHFFFAOYSA-N
Boiling Point:	168.7 °C at 760 mmHg
Density:	0.884 g/cm³
Appearance:	Colorless to yellow liquid
LogP:	1.41670

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
US-10096477-B2	Method to improve adhesion of photoresist on silicon substrate for extreme ultraviolet and electron beam lithography	20170215
US-10312087-B2	Method to improve adhesion of photoresist on silicon substrate for extreme ultraviolet and electron beam lithography	20170215
US-10553432-B2	Method to improve adhesion of photoresist on silicon substrate for extreme ultraviolet and electron beam lithography	20170215
US-2018233362-A1	Method to improve adhesion of photoresist on silicon substrate for extreme ultraviolet and electron beam lithography	20170215

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.104465066
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.104465066
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9