3,4-Dimethylbenzoic acid

Name	3,4-Dimethylbenzoic acid
Synonyms	AKOS BBS-00007820 RARECHEM AL BO 0330 3,4-dimethylbenzoate 3,4-dimethyl-benzoicaci 3,4-DIMETHYLBENZOIC ACID 3,4-Dimethylbenzoic acid 3,4-dimethyl benzoic acid O-XYLENE-4-CARBOXYLIC ACID D**3,4-DIMETHYLBENZOIC ACID 1-Carboxy-3,4-dimethylbenzene
CAS	619-04-5
EINECS	210-576-7
InChI	InChI=1/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)

Molecular Formula	C9H10O2
Molar Mass	150.17
Density	1.0937 (estimate)
Melting Point	163-165 °C (lit.)
Boling Point	271.51°C (estimate)
Flash Point	134.9°C
Water Solubility	129.2mg/L(temperature not stated)
Vapor Presure	0.000728mmHg at 25°C
Appearance	Crystalline Powder
Color	White to beige
BRN	907267
pKa	4.44±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.5188 (estimate)
MDL	MFCD00002524
Physical and Chemical Properties	White powder or crystal. Melting point 165-167 ℃.
Use	Used as an intermediate in organic synthesis
In vitro study	3,4-Dimethylbenzoic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3,4-dimethylcatechol.

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed
Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3
RTECS	DG8734020
TSCA	Yes
HS Code	29163900

biological activity	3, 4-Dimethylbenzene acid is a dimethyl benzoate metabolite of Rhodococcus rhodochrous N75.
in vitro study	3, 4-Dimethylbenzic acid is oxidised by 4-methylbenzoate (p-toluate)-grown cells of Rhodococcus rhodochrous N75 via the ortho-pathway through the intermediates 3, 4-dimethylcatecol.
chemical properties	white powder or crystal. Melting point 165-167 ℃.
Use	Used as an intermediate in organic synthesis
NIST chemical information	The information is provided by: webbook.nist.gov (external link)
EPA chemical information	information provided by: ofmpub.epa.gov (external link)

Last Update：2024-04-09 15:16:36

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3,4-Dimethylbenzoic acid

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