2-Isobutylbenzoic acid, 98%

Name: 2-Isobutylbenzoic acid
Brand: Chempure

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CAS Number

100058-55-7

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About this item

IUPAC name	2-(2-methylpropyl)benzoic acid
inchi	InChI=1S/C11H14O2/c1-8(2)7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
inchi key	PSHADDQTSCEAHY-UHFFFAOYSA-N
molecular formula	C11H14O2
synonyms	2-(2-methylpropyl)benzoic acid 100058-55-7 Benzoic acid, 2-(2-methylpropyl)- 2-isobutylbenzoic acid isobutylbenzoic acid

Computed Properties

Molecular Weight:	178.23 g/mol
XLogP3:	3.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	3
Exact Mass:	178.099379685 g/mol
Monoisotopic Mass:	178.099379685 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	175
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	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AX0082

2-Isobutylbenzoic acid, 98%

Product No: AX0082

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About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?