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2,3-Dimethylphenylacetic acid

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Name

2,3-Dimethylphenylacetic acid

EINECS N/A
CAS No. 30981-98-7 Density 1.099 g/cm3
PSA 37.30000 LogP 1.93050
Solubility N/A Melting Point 116-117 °C
Formula C10H12O2 Boiling Point 300.045 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 197.167 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 30981-98-7 (2,3-Dimethylphenylacetic acid) Hazard Symbols HarmfulXn
Synonyms

Aceticacid, 2,3-xylyl- (6CI);(2,3-Dimethylphenyl)acetic acid;

 

2,3-Dimethylphenylacetic acid Specification

The Benzeneacetic acid,2,3-dimethyl-, with the CAS registry number 30981-98-7, is also known as 2,3-Dimethylphenylacetic acid. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C10H12O2 and formula weight is 164.2. What's more, its IUPAC name is 2-(2,3-dimethylphenyl)acetic acid.

Physical properties of Benzeneacetic acid,2,3-dimethyl- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 47.017 cm3; (15)Molar Volume: 149.427 cm3; (16)Surface Tension: 42.245 dyne/cm; (17)Density: 1.099 g/cm3; (18)Flash Point: 197.167 °C; (19)Enthalpy of Vaporization: 57.032 kJ/mol; (20)Boiling Point: 300.045 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(C)CCCC1CC(O)=O
(2)InChI: 1S/C10H12O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: AMPNBNGNPLXMOP-UHFFFAOYSA-N

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