3-Ethyl-3-pentanol - CAS 597-49-9

Catalog:	BB030484
Product Name:	3-Ethyl-3-pentanol
CAS:	597-49-9
Synonyms:	3-ethylpentan-3-ol

Technical Data

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Computed Properties

IUPAC Name:	3-ethylpentan-3-ol
Description:	3-Ethyl-3-pentanol (CAS# 597-49-9) is a useful research chemical compound.
Molecular Weight:	116.20
Molecular Formula:	C7H16O
Canonical SMILES:	CCC(CC)(CC)O
InChI:	InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
InChI Key:	XKIRHOWVQWCYBT-UHFFFAOYSA-N
Boiling Point:	146.6 °C at 760 mmHg
Density:	0.824 g/mL at 25°C(lit.)
Solubility:	Slightly soluble in water. Soluble in alcohol.
Appearance:	Colorless liquid
MDL:	MFCD00004484
LogP:	1.94750
Vapor Pressure:	2.15 [mmHg]

Publication Number	Title	Priority Date
CN-113248967-A	Quantum dot ink, QLED device and preparation method and application thereof	20210511
CN-112961729-A	Method for optimizing extraction of peony hydrolat under negative pressure distillation condition	20210324
JP-2021059607-A	Azilsartan Alkyl ester, azilsartan methyl ester production method, and azilsartan production method	20210121
CN-111658583-A	Preparation method of peony moistening anti-inflammatory essence and essence	20200615
JP-2020123577-A	display	20200406

PMID	Publication Date	Title	Journal
22639192	20120702	The effect of alcohol structures on the interaction mode with the hexameric capsule of resorcin[4]arene	Chemistry (Weinheim an der Bergstrasse, Germany)
20059162	20091201	New methodology for simultaneous volumetric and calorimetric measurements: direct determination of alpha(p) and C(p) for liquids under pressure	The Review of scientific instruments
19536912	20090519	Quantification of water and silanol species on various silicas by coupling IR spectroscopy and in-situ thermogravimetry	Langmuir : the ACS journal of surfaces and colloids
17266265	20070208	Heat capacity of associated systems. Experimental data and application of a two-state model to pure liquids and mixtures	The journal of physical chemistry. B
15219450	20040801	Tetradecyltrimethylammonium bromide water-in-oil microemulsions: dependence of the minimum amount of alkanol required to produce a microemulsion with the alkanol and organic solvent topology	Journal of colloid and interface science

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	47.1
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1