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2,6-Dimethylbenzoic acid

2,6-Dimethylbenzoic acid structure

CAS No:
632-46-2
Formula:
C9H10O2
Chemical Name:
2,6-Dimethylbenzoic acid
Synonyms:
Benzoic acid,2,6-dimethyl-;2,6-Dimethylbenzoic acid
Categories:
Chemical Reagents > Organic Reagents

Description

white to pale cream crystalline powder

2,6-dimethylbenzoic acid is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 6. It derives from a benzoic acid. It is a conjugate acid of a 2,6-dimethylbenzoate.

2,6-Dimethylbenzoic acid Basic Attributes

Molecular Weight：

150.17

Exact Mass：

150.17

EC Number：

211-177-0

DSSTox ID：

DTXSID10212551

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.2

Appearance：

white to pale cream crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

116 °C

Boiling Point：

274.5 °C

Flash Point：

126.1±13.4 °C

Refractive Index：

1.550

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S24/25

RTECS Number：

DG8734010

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,6-Dimethylbenzoic acid Use and Manufacturing

2,6-Dimethylbenzoic acid is a benzoic acid derivative used in the preparation of antiinflammatory and antirheumatic agents. And it is also a potential geothermal tracer.

Computed Properties

Molecular Weight:150.17
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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