2-Methyl-3-hexanol - CAS 617-29-8

Catalog:	BB031237
Product Name:	2-Methyl-3-hexanol
CAS:	617-29-8
Synonyms:	2-methylhexan-3-ol

Technical Data

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Computed Properties

IUPAC Name:	2-methylhexan-3-ol
Description:	2-Methyl-3-hexanol (CAS# 617-29-8) is a useful research chemical.
Molecular Weight:	116.20
Molecular Formula:	C7H16O
Canonical SMILES:	CCCC(C(C)C)O
InChI:	InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
InChI Key:	RGRUUTLDBCWYBL-UHFFFAOYSA-N
Boiling Point:	141-143 °C (765 torr)
Density:	0.821 g/cm³
Appearance:	Clear viscous liquid
LogP:	1.80340

Publication Number	Title	Priority Date
CN-113248967-A	Quantum dot ink, QLED device and preparation method and application thereof	20210511
US-2021300850-A1	Systems and Methods for Purifying Solvents	20200327
US-2021300851-A1	Systems and Methods for Purifying Solvents	20200327
WO-2021195457-A1	Systems and methods for purifying solvents	20200327
WO-2021195459-A1	Systems and methods for purifying solvents	20200327

PMID	Publication Date	Title	Journal
18217598	20071107	Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds	Chemical communications (Cambridge, England)

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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:	50.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.120115130
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.120115130
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2