4-(Isopentyloxy)benzoic Acid - CAS 2910-85-2

Catalog:	BB020096
Product Name:	4-(Isopentyloxy)benzoic Acid
CAS:	2910-85-2
Synonyms:	4-(3-methylbutoxy)benzoic acid; 4-(3-methylbutoxy)benzoic acid

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Computed Properties

IUPAC Name:	4-(3-methylbutoxy)benzoic acid
Description:	4-(Isopentyloxy)benzoic Acid (CAS# 2910-85-2) is a useful research chemical.
Molecular Weight:	208.25
Molecular Formula:	C12H16O3
Canonical SMILES:	CC(C)CCOC1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C12H16O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChI Key:	YNYYRDUFMDDJMV-UHFFFAOYSA-N
Boiling Point:	326.8 °C at 760 mmHg
Density:	1.082 g/cm³
MDL:	MFCD01814579
LogP:	2.80970

Publication Number	Title	Priority Date
KR-20150056727-A	Cleaner Composition and method of manufacturing metal line using the same	20131115
US-2015136728-A1	Cleaning composition and method of manufacturing metal wiring using the same	20131115
US-2016230289-A1	Cleaning composition and method of manufacturing metal wiring using the same	20131115
US-9340759-B2	Cleaning composition and method of manufacturing metal wiring using the same	20131115
US-9869027-B2	Cleaning composition and method of manufacturing metal wiring using the same	20131115

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.109944368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.109944368
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9