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2,4-Dimethylbenzoic acid

2,4-Dimethylbenzoic acid structure

CAS No:
611-01-8
Formula:
C9H10O2
Chemical Name:
2,4-Dimethylbenzoic acid
Synonyms:
Benzoic acid,2,4-dimethyl-;2,4-Dimethylbenzoic acid;4-Carboxy-1,3-dimethylbenzene;NSC 407532
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

white crystalline powder

2,4-dimethylbenzoic acid is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 4. It has a role as a metabolite. It derives from a benzoic acid. It is a conjugate acid of a 2,4-dimethylbenzoate.

2,4-Dimethylbenzoic acid Basic Attributes

Molecular Weight：

150.177

Exact Mass：

150.17

EC Number：

210-246-2

UNII：

1QJD7P2UWB

NSC Number：

407532

DSSTox ID：

DTXSID2060595

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.8

Appearance：

white crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

90 °C

Boiling Point：

268 °C

Flash Point：

131.3±13.4 °C

Refractive Index：

1.550

Water Solubility：

0.16g/L(25 ºC)

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

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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4-dimethylbenzoic acid

2,4-Dimethylbenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 2,4-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:150.17
XLogP3:2.8
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:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2,4-Dimethylbenzoic acid

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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Greenbo Biochem Contact Supplier

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CAS No.: 611-01-8

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