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Ascaridole

Ascaridole structure

CAS No:
512-85-6
Formula:
C10H16O2
Chemical Name:
Ascaridole
Synonyms:
2,3-Dioxabicyclo[2.2.2]oct-5-ene,1-methyl-4-(1-methylethyl)-;p-Menth-2-ene,1,4-epidioxy-;1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene;Ascaridole;Ascarisin;1,4-Peroxido-p-menthene-2;Ascaridol;1,4-Peroxy-p-menth-2-ene;Askaridol;Ascaricum;NSC 406266;NSC 406924;Boldo ascaridole;122346-63-8
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

Pale Yellow Oil

Liquid

Ascaridole is a p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. It has a role as an antinematodal drug, a plant metabolite and an antileishmanial agent. It is a p-menthane monoterpenoid, an organic peroxide and an organic heterobicyclic compound.

Ascaridole Basic Attributes

Molecular Weight：

168.23

Exact Mass：

168.23

EC Number：

208-147-4

NSC Number：

406924|406266

HScode：

2932999099

Characteristics

PSA：

18.5

XLogP3：

2.45170

Appearance：

Liquid

Density：

0.9985 g/cm³ @ Temp: 20 °C

Melting Point：

3.3 °C

Boiling Point：

39-40 °C @ Press: 0.2 Torr

Flash Point：

55.9±28.6℃

Refractive Index：

1.498

Storage Conditions：

Amber Vial, -20°C Freezer

Toxicity：

Oral-Rat LD50: 200 mg/kg; Oral-Mouse LD50: 400 mg/kg

Flammability characteristics：

Combustible by heat and open flame; burning produces irritating smoke

Safety Information

Storage features：

The warehouse is ventilated, low temperature and dry; lightly loaded and unloaded; stored separately from organic substances, reducing agents, sulfur and phosphorus combustibles

Explosive characteristics：

It is an oxidant; it can be explosive when the heating temperature is higher than 130 degrees; it can be explosive when encountering reducing agents, organic substances, sulfur, phosphorus and other flammable substances

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

ascaridole

Ascaridole Use and Manufacturing

An organic peroxide which constitutes 60-80% of oil of chenopodium. Anthelmintic.

Computed Properties

Molecular Weight:168.23
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Complexity:222
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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