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3-Methoxybenzaldehyde

3-Methoxybenzaldehyde structure

CAS No:
591-31-1
Formula:
C8H8O2
Chemical Name:
3-Methoxybenzaldehyde
Synonyms:
Benzaldehyde,3-methoxy-;m-Anisaldehyde;Benzaldehyde,m-methoxy-;3-Methoxybenzaldehyde;m-Methoxybenzaldehyde;NSC 43794;3-Methoxyphenylcarboxaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear pale yellow to yellow liquid

Liquid

3-methoxybenzaldehyde is a member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group. It has a role as a Brassica napus metabolite. It is a member of benzaldehydes and a monomethoxybenzene.

3-Methoxybenzaldehyde Basic Attributes

Molecular Weight：

136.14792

Exact Mass：

136.15

BRN：

606013

EC Number：

209-712-8

UNII：

8ZAO7S0IVH

NSC Number：

43794

DSSTox ID：

DTXSID5044447

HScode：

29124900

Characteristics

PSA：

26.3

XLogP3：

1.65

Appearance：

Clear pale yellow to yellow Liquid

Density：

1.115 g/cm³ @ Temp: 22 °C

Melting Point：

187 °C

Boiling Point：

231 °C

Flash Point：

>230 °F

Refractive Index：

1.547

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1.3 hPa (73 °C)

Toxicity：

Reference value: Oral-rat LD50: 2500 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36/38

safety instructions：

26-36-37/39

RTECS Number：

BZ2605000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.

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|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 54 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

3-methoxybenzaldehyde

3-Methoxybenzaldehyde Use and Manufacturing

Methods of Manufacturing

It is obtained by the reaction of m-hydroxybenzaldehyde and dimethyl sulfate.

Uses

Used as pharmaceutical intermediates, organic synthesis intermediates.

Manufacturing Info：

Benzaldehyde, 3-methoxy-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:136.15
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:136.052429494
Monoisotopic Mass:136.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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