CAS 2052-14-4 | Benzoic acid, 2-hydroxy-, butyl ester | CAS Number 2052-14-4

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2052-14-4 | Benzoic acid, 2-hydroxy-, butyl ester

CAS No: 2052-14-4 Catalog No: AG0029XW MDL No:MFCD00020038

Product Description

Catalog Number:

AG0029XW

Chemical Name:

Benzoic acid, 2-hydroxy-, butyl ester

CAS Number:

2052-14-4

Molecular Formula:

C11H14O3

Molecular Weight:

194.2271

MDL Number:

MFCD00020038

IUPAC Name:

butyl 2-hydroxybenzoate

InChI:

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3

InChI Key:

YFDUWSBGVPBWKF-UHFFFAOYSA-N

SMILES:

CCCCOC(=O)c1ccccc1O

EC Number:

218-142-9

UNII:

QPR9LM8VZO

FEMA Number:

3650

Properties

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.23g/mol

Monoisotopic Mass:

194.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Discovery of molecular mechanisms of traditional Chinese medicinal formula Si-Wu-Tang using gene expression microarray and connectivity map.	PloS one 20110101
Ultrasound-assisted third-liquid phase-transfer catalyzed esterification of sodium salicylate in a continuous two-phase-flow reactor.	Ultrasonics sonochemistry 20100101
DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080201
Fragrance material review on butyl salicylate.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101
Differentiated in vivo skin penetration of salicylic compounds in hairless rats measured by cutaneous microdialysis.	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20040201
The effect of topically applied salicylic compounds on serotonin-induced scratching behaviour in hairless rats.	Experimental dermatology 20020801