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p-Tolylacetic acid

p-Tolylacetic acid structure

CAS No:
622-47-9
Formula:
C9H10O2
Chemical Name:
p-Tolylacetic acid
Synonyms:
Benzeneacetic acid,4-methyl-;Acetic acid,p-tolyl-;4-Methylbenzeneacetic acid;(4-Methylphenyl)acetic acid;p-Methylphenylacetic acid;p-Tolylacetic acid;2-p-Tolylacetic acid;4-Tolylacetic acid;NSC 65595;2-(4-Methylphenyl)acetic acid
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

white fine crystalline powder

p-Tolylacetic acid is a reagent used in the preparation of quaternary amines and epithelial sodium channel inhibition in bronchial epithelium.

p-Tolylacetic acid Basic Attributes

Molecular Weight：

150.17

Exact Mass：

150.17

BRN：

2043528

EC Number：

210-738-7

NSC Number：

65595

DSSTox ID：

DTXSID80211238

HScode：

29163900

Characteristics

PSA：

37.3

XLogP3：

1.9

Appearance：

White Fine Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

93 °C

Boiling Point：

265 °C

Flash Point：

265-267°C

Refractive Index：

1.546

Storage Conditions：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

RTECS Number：

AJ7569000

Marks：

Hazard note：

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 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	2270 mg/kg	Details of toxic effects not reported other than lethal dose value--	Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,286,1958

p-Tolylacetic acid Use and Manufacturing

Used in organic synthesis and pharmaceutical industry

Computed Properties

Molecular Weight:150.17
XLogP3:1.9
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

Synthesis Route

201230-82-2