2,5-Dimethylphenylacetic Acid - CAS 13612-34-5

Catalog:	BB008305
Product Name:	2,5-Dimethylphenylacetic Acid
CAS:	13612-34-5
Synonyms:	2-(2,5-dimethylphenyl)acetic acid; 2-(2,5-dimethylphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2,5-dimethylphenyl)acetic acid
Description:	2,5-Dimethylphenylacetic Acid (CAS# 13612-34-5) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC1=CC(=C(C=C1)C)CC(=O)O
InChI:	InChI=1S/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:	RUSCTNYOPQOXDJ-UHFFFAOYSA-N
Boiling Point:	293.4 °C at 760 mmHg
Density:	1.098 g/cm³
Appearance:	White to beige crystalline powder
MDL:	MFCD00014369
LogP:	1.93050

Publication Number	Title	Priority Date
CN-111362776-A	Improved preparation method of 2, 5-disubstituted benzyl chloride	20200425
CN-111072470-A	Method for preparing 2, 5-dimethyl phenylacetyl chloride	20191218
CN-110305009-A	A method of 2,5- dimethyl phenyl acetic acid is synthesized by 2,5- dimethylbenzyl halogen	20190717
CN-110305010-A	A kind of preparation method of 2,5- dimethyl phenyl acetic acid	20190717
CN-110357774-A	A method of 2,5- dimethyl phenyl acetic acid is prepared by raw material of 2,5- dimethyl halobenzene	20190717

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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:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1