Methyl isovanillate

Modify Date: 2025-08-20 22:37:14

Methyl isovanillate Structure
Methyl isovanillate structure
Common Name Methyl isovanillate
CAS Number 6702-50-7 Molecular Weight 182.173
Density 1.2±0.1 g/cm3 Boiling Point 327.7±22.0 °C at 760 mmHg
Molecular Formula C9H10O4 Melting Point 64-67ºC
MSDS Chinese USA Flash Point 132.8±15.8 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of Methyl isovanillate


Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1].

 Names

Name Methyl 3-hydroxy-4-methoxybenzoate
Synonym More Synonyms

 Methyl isovanillate Biological Activity

Description Methyl isovanillate is a secondary metabolite isolated from Vitex agnus-castus[1].
Related Catalog
References

[1]. Alper GÖKBULUT, et al. Radical Scavenging Activity and Vitexin Content of Vitex agnus-castus Leaves and Fruits. FABAD J. Pharm. Sci. 35, 85-91, 2010

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 327.7±22.0 °C at 760 mmHg
Melting Point 64-67ºC
Molecular Formula C9H10O4
Molecular Weight 182.173
Flash Point 132.8±15.8 °C
Exact Mass 182.057907
PSA 55.76000
LogP 1.75
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.534

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
HS Code 2918990090

 Synthetic Route

~81%

Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Wang, Xiaolong; Ju, Tingting; Li, Xiaodong; Cao, Xiaoping Synlett, 2010 , # 19 p. 2947 - 2949

~25%

Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Payne, Richard J.; Toscano, Miguel D.; Bulloch, Esther M. M.; Aoell, Andrew D.; Abell, Chris Organic and Biomolecular Chemistry, 2005 , vol. 3, # 12 p. 2271 - 2281

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: US6384080 B1, ;

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Chemische Berichte, , vol. 74, p. 79,94

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Marine Drugs, , vol. 9, # 10 p. 1887 - 1901

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Journal of Organic Chemistry, , vol. 50, # 2 p. 217 - 231

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Monatshefte fuer Chemie, , vol. 97, p. 570 - 578

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Methyl isovanillate Structure

Methyl isovanillate

CAS#:6702-50-7

Literature: Journal of the Chemical Society, , p. 817,818

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Detail
Literature: Justus Liebigs Annalen der Chemie, , vol. 159, p. 243 Chemische Berichte, , vol. 8, p. 512,1123 Chemische Berichte, , vol. 11, p. 133

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Articles1

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Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk).

Bioorg. Med. Chem. Lett. 21 , 3152-3158, (2011)

Continued examination of substituted 6-arylquinazolin-4-amines as Clk4 inhibitors resulted in selective inhibitors of Clk1, Clk4, Dyrk1A and Dyrk1B. Several of the most potent inhibitors were validate...

 Synonyms

Methyl 3-hydroxy-4-methoxybenzenecarboxylate
Isovanillic Acid Methyl Ester
MFCD01321262
1OVR CQ DO1
Methyl isovanillate
3-hydroxy-4-methoxy-benzoic acid methyl ester
3-Hydroxy-4-methoxybenzoic acid methyl ester
Methyl 3-hydroxy-4-methoxybenzoate
methyl 3-hydroxy-4-methoxy-benzoate
Benzoic acid, 3-hydroxy-4-methoxy-, methyl ester
5-carbomethoxy-2-methoxyphenol
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