2,5-Dimethylbenzoic acid, 98%

Name: 2,5-Dimethylbenzoic acid
Brand: Chempure

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CAS Number

610-72-0

Molecular Weight

150.17

Formula

C9H10O2

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IUPAC name	2,5-dimethylbenzoic acid
inchi	InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
inchi key	XZRHNAFEYMSXRG-UHFFFAOYSA-N
molecular formula	C9H10O2
synonyms	2,5-DIMETHYLBENZOIC ACID 610-72-0 Benzoic acid, 2,5-dimethyl- Isoxylic acid 2,5-DiMethyl-Benzoic Acid
Compound Description	2,5-dimethylbenzoic acid is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 5. It is functionally related to a benzoic acid. It is a conjugate acid of a 2,5-dimethylbenzoate.

Computed Properties

Molecular Weight:	150.17 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	150.068079557 g/mol
Monoisotopic Mass:	150.068079557 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	154
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 (97.8%)
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 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AQ7440

2,5-Dimethylbenzoic acid, 98%

Product No: AQ7440

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