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Methyl piperonylate

Methyl piperonylate structure

CAS No:
326-56-7
Formula:
C9H8O4
Chemical Name:
Methyl piperonylate
Synonyms:
1,3-Benzodioxole-5-carboxylic acid,methyl ester;Piperonylic acid,methyl ester;Methyl piperonylate;Methyl 3,4-methylenedioxybenzoate;NSC 21790;Methyl 1,3-benzodioxole-5-carboxylate;Methyl benzo[d]dioxole-5-carboxylate;Methyl benzo[d][1,3]dioxole-5-carboxylate
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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Methyl piperonylate Basic Attributes

Molecular Weight：

180.15700

Exact Mass：

180.16

EC Number：

206-309-9

UNII：

VAB2E5C0S5

NSC Number：

21790

DSSTox ID：

DTXSID2059809

Characteristics

PSA：

44.76000

XLogP3：

1.20190

Density：

1.3g/cm3

Melting Point：

53 °C

Boiling Point：

146 °C @ Press: 11 Torr

Flash Point：

117.3ºC

Safety Information

Marks：

Xi: Irritant;

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

methyl piperonylate

Methyl piperonylate Use and Manufacturing

Manufacturing Info：

1,3-Benzodioxole-5-carboxylic acid, methyl ester: INACTIVE

Computed Properties

Molecular Weight:180.16
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:44.8
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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methyl 1,3-benzodioxole-5-carboxylate

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CAS No.: 326-56-7

Grade: Pharmaceutical Grade

Content: 99%

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