6-Methyl-2-heptanol - CAS 4730-22-7

Catalog:	BB026252
Product Name:	6-Methyl-2-heptanol
CAS:	4730-22-7
Synonyms:	6-methylheptan-2-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methylheptan-2-ol
Description:	6-Methyl-2-heptanol (CAS# 4730-22-7) is an intermediate used to prepare tri- and tetrasubstituted imidazoles as highly potent and specific ATP-mimetic inhibitors of p38 MAP kinase.
Molecular Weight:	130.23
Molecular Formula:	C8H18O
Canonical SMILES:	CC(C)CCCC(C)O
InChI:	InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
InChI Key:	FCOUHTHQYOMLJT-UHFFFAOYSA-N
Boiling Point:	176 °C at 760 mmHg
Density:	0.803 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00004562
LogP:	2.19350

Publication Number	Title	Priority Date
CN-113208071-A	Novel crab juice and preparation method thereof	20210611
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EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414

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Complexity:	59.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.135765193
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.135765193
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6