4-(Hexyloxy)benzoic Acid, >98.0%

Name: 4-(Hexyloxy)benzoic Acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1142-39-8

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About this item

IUPAC name	4-hexoxybenzoic acid
canonical smiles	CCCCCCOC1=CC=C(C=C1)C(=O)O
inchi	InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
inchi key	HBQUXMZZODHFMJ-UHFFFAOYSA-N
molecular formula	C13H18O3
synonyms	1142-39-8 4-(Hexyloxy)benzoic acid 4-Hexyloxybenzoic acid 4-n-Hexyloxybenzoic acid Benzoic acid, 4-(hexyloxy)-

Computed Properties

Molecular Weight:	222.28 g/mol
XLogP3:	3.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	7
Exact Mass:	222.125594432 g/mol
Monoisotopic Mass:	222.125594432 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	195
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: BA5052

4-(Hexyloxy)benzoic Acid, >98.0%

Product No: BA5052

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

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About this item

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Certificate of Analysis

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Product No: BA5052

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?