3-Methoxybenzaldehyde
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3-Methoxybenzaldehyde
structure -
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CAS No:
591-31-1
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Formula:
C8H8O2
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Chemical Name:
3-Methoxybenzaldehyde
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Synonyms:
Benzaldehyde,3-methoxy-;m-Anisaldehyde;Benzaldehyde,m-methoxy-;3-Methoxybenzaldehyde;m-Methoxybenzaldehyde;NSC 43794;3-Methoxyphenylcarboxaldehyde
- Categories:
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CAS No:
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3-methoxybenzaldehyde is a member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.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
136.14792
136.15
606013
209-712-8
8ZAO7S0IVH
43794
DTXSID5044447
29124900
Characteristics
26.3
1.65
Clear pale yellow to yellow Liquid
1.115 g/cm3 @ Temp: 22 °C
187 °C
231 °C
>230 °F
1.547
H2O: insoluble
Store below +30°C.
1.3 hPa (73 °C)
Reference value: Oral-rat LD50: 2500 mg/kg
Flammable; burning produces irritating fumes
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-36/38
26-36-37/39
BZ2605000
Xi
Treasury is ventilated, low temperature and dry; stored separately from food materials
Irritant
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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.
3-Methoxybenzaldehyde Use and Manufacturing
It is obtained by the reaction of m-hydroxybenzaldehyde and dimethyl sulfate.
Used as pharmaceutical intermediates, organic synthesis intermediates.
Benzaldehyde, 3-methoxy-: INACTIVE
Food additives -> Flavoring Agents
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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