Hexylbenzene, >98.0%

Name: Hexylbenzene
Brand: Chempure

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CAS Number

1077-16-3

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IUPAC name	hexylbenzene
inchi	InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
inchi key	LTEQMZWBSYACLV-UHFFFAOYSA-N
molecular formula	C12H18
synonyms	Hexylbenzene 1-Phenylhexane 1077-16-3 N-HEXYLBENZENE Benzene, hexyl-
Compound Description	Hexylbenzene is a member of benzenes.

Computed Properties

Molecular Weight:	162.27 g/mol
XLogP3:	5.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	5
Exact Mass:	162.140850574 g/mol
Monoisotopic Mass:	162.140850574 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	90.2
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 (93.6%) Eye Irrit. 2 (93.6%) STOT SE 3 (93.6%) Aquatic Acute 1 (80.9%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H315 (93.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (93.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (80.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
hazards summary	May cause 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: AZ3120

Hexylbenzene, >98.0%

Product No: AZ3120

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CHEMICAL AND PHYSICAL PROPERTIES

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Product No: AZ3120

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?