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Methyl homovanillate

Methyl homovanillate structure

CAS No:
15964-80-4
Formula:
C10H12O4
Chemical Name:
Methyl homovanillate
Synonyms:
Benzeneacetic acid,4-hydroxy-3-methoxy-,methyl ester;Acetic acid,(4-hydroxy-3-methoxyphenyl)-,methyl ester;Methyl 3-methoxy-4-hydroxyphenylacetate;Homovanillic acid methyl ester;Methyl homovanillate;Methyl 4-hydroxy-3-methoxyphenylacetate;Methyl 4-hydroxy-3-methoxybenzeneacetate;(4-Hydroxy-3-methoxyphenyl)acetic acid methyl ester;Methyl 2-(4-hydroxy-3-methoxyphenyl)acetate;Methyl 2-(3-methoxy-4-hydroxyphenyl)acetate;4-Hydroxy-3-methoxy-benzeneacetic acid methyl ester

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Methyl homovanillate Basic Attributes

Molecular Weight：

196.20000

Exact Mass：

196.20

EC Number：

240-101-9

DSSTox ID：

DTXSID10166702

HScode：

2918990090

Characteristics

PSA：

55.76000

XLogP3：

1.11630

Density：

1.191g/cm3

Melting Point：

118 °C

Boiling Point：

120-122 °C @ Press: 0.7 Torr

Flash Point：

118.8ºC

Refractive Index：

1.528

Vapor Pressure：

0.000396mmHg at 25°C

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:196.20
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:14
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl homovanillate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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