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4-Methylsalicylic acid

4-Methylsalicylic acid structure

CAS No:
50-85-1
Formula:
C8H8O3
Chemical Name:
4-Methylsalicylic acid
Synonyms:
Benzoic acid,2-hydroxy-4-methyl-;2,4-Cresotic acid;2-Hydroxy-4-methylbenzoic acid;γ-Cresotic acid;m-Cresotic acid;m-Homosalicylic acid;2-Hydroxy-p-toluic acid;m-Cresotinic acid;4-Methylsalicylic acid;4-Methyl-2-hydroxybenzoic acid;p-Methylsalicylic acid;NSC 16634;4-Methyl-2-hydroxybenzenecarboxylic acid
Categories:
Chemical Reagents > Organic Reagents

Description

4-Methylsalicylic acid is white to greyish-beige powder

4-methylsalicylic acid is a monohydroxybenzoic acid consisting of salicylic acid having a methyl group at the 4-position. It derives from a salicylic acid.

4-Methylsalicylic acid Basic Attributes

Molecular Weight：

152.15

Exact Mass：

152.15

BRN：

2208140

EC Number：

200-068-3

UNII：

4H0106V3D3

NSC Number：

16634

DSSTox ID：

DTXSID30198166

HScode：

29182900

Characteristics

PSA：

57.5

XLogP3：

Appearance：

White to grayish-beige Powder

Density：

1.3±0.1 g/cm3

Melting Point：

177 °C

Boiling Point：

234.6°C (rough estimate)

Flash Point：

158.6±21.1 °C

Refractive Index：

1.600

Water Solubility：

soluble in water 10 g/L @ 20℃.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-37/39

RTECS Number：

GP3920100

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (98.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-hydroxy-p-toluic acid

4-Methylsalicylic acid Use and Manufacturing

In manufacture of dyes.

Computed Properties

Molecular Weight:152.15
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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