Propyl benzoate - CAS 2315-68-6

Catalog:	BB017958
Product Name:	Propyl benzoate
CAS:	2315-68-6
Synonyms:	propyl benzoate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	propyl benzoate
Description:	Propyl benzoate (CAS# 2315-68-6) is a useful research chemical compound.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CCCOC(=O)C1=CC=CC=C1
InChI:	InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:	UDEWPOVQBGFNGE-UHFFFAOYSA-N
Boiling Point:	229.5 °C / 766 mmHg (lit.)
Melting Point:	-51°C
Flash Point:	209 °F
Density:	1.026 g/mL at 25°C(lit.)
Solubility:	water, 176 mg/L @ 25 °C (est)
Appearance:	Colorless clear liquid
MDL:	MFCD00009370
LogP:	2.25340
Refractive Index:	n20/D 1.501(lit.)

Publication Number	Title	Priority Date
JP-6942404-B1	Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements	20210705
CN-113355006-A	Heavy-duty anticorrosive powder	20210607
CN-113150573-A	High-density fiberboard with low formaldehyde content	20210511
CN-113044904-A	Extracting agent and method for synergistically extracting pollutants and phenols difficult to degrade in coal chemical industry wastewater	20210510
CN-113252819-A	Method for judging and detecting Maillard reaction product in burley tobacco baking process	20210414

PMID	Publication Date	Title	Journal
20702726	20101001	The seed composition of Arabidopsis mutants for the group 3 sulfate transporters indicates a role in sulfate translocation within developing seeds	Plant physiology
20801377	20100915	Combined hollow fiber-based liquid-liquid-liquid microextraction and in-situ differential pulse voltammetry to improve selectivity, sensitivity, and interference elimination in electrochemical analysis	Talanta
18392755	20080701	Restricted-access media development for direct analysis of drugs in biofluids using capillary liquid chromatography	Analytical and bioanalytical chemistry
17651367	20070901	Characterization of seed-specific benzoyloxyglucosinolate mutations in Arabidopsis thaliana	The Plant journal : for cell and molecular biology
16314164	20051209	Effect of the endcapping of reversed-phase high-performance liquid chromatography adsorbents on the adsorption isotherm	Journal of chromatography. A

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3