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4-Ethylbenzoic acid

4-Ethylbenzoic acid structure

CAS No:
619-64-7
Formula:
C9H10O2
Chemical Name:
4-Ethylbenzoic acid
Synonyms:
Benzoic acid,4-ethyl-;Benzoic acid,p-ethyl-;4-Ethylbenzoic acid;p-Ethylbenzoic acid;NSC 59888
Categories:
Agrochemicals > Pesticide Intermediates

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Description

white to beige powder

Solid

4-Ethylbenzoic acid is a member of benzoic acids.

4-Ethylbenzoic acid Basic Attributes

Molecular Weight：

150.17

Exact Mass：

150.17

BRN：

2041840

EC Number：

210-605-3

UNII：

9TKM8P0G6R

NSC Number：

59888

DSSTox ID：

DTXSID3073212

HScode：

29163900

Characteristics

PSA：

37.3

XLogP3：

2.9

Appearance：

White to beige Powder

Density：

0.9961 g/cm³ @ Temp: 20 °C

Melting Point：

112-113 °C

Boiling Point：

74-76 °C @ Press: 8 Torr

Flash Point：

125.1±16.2 °C

Refractive Index：

1.547

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37

safety instructions：

22-24/25-37/39-26

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (12.5%): 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 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-ethylbenzoate

4-Ethylbenzoic acid Use and Manufacturing

Methods of Manufacturing

The preparation method is to add ethylbenzene and trichloroacetaldehyde to the reaction kettle, add anhydrous aluminum trichloride in batches at 0 ℃, stir the reaction at -10 ~ 0 ℃ after addition for 2 hours, then add dilute hydrochloric acid to mix The remaining aluminum trichloride is decomposed in the liquid, and then washed with NaHCO3 and water, the organic layer is distilled to recover ethylbenzene, and then distilled to obtain p-ethylbenzene-2, 2, 2-trichloroethanol, and then dissolve the trichloroethanol In methanol, add NaOH solution and stir. In this mixture, add 30% aqueous hydrogen peroxide solution dropwise, stir until the trichloroethanol disappears, and then acidify with HCl to obtain crystalline product.

Uses

Intermediates of Liquid Crystals

Computed Properties

Molecular Weight:150.17
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethylbenzene

Oxygen

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