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Methyl syringate

Methyl syringate structure

CAS No:
884-35-5
Formula:
C10H12O5
Chemical Name:
Methyl syringate
Synonyms:
Benzoic acid,4-hydroxy-3,5-dimethoxy-,methyl ester;Syringic acid,methyl ester;Methyl 4-hydroxy-3,5-dimethoxybenzoate;Methyl syringate;Methyl 3,5-dimethoxy-4-hydroxybenzoate;4-Hydroxy-3,5-dimethoxybenzoic acid methyl ester;NSC 16946;NSC 611398;DeniLite II Assist;Novoprime F 258;3,5-Dimethoxy-4-hydroxybenzoic acid methyl ester
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

Methyl syringate, a chemical marker of asphodel monofloral honey, is an efficient phenolic mediator for bacterial and fungal laccases. Methyl syringate is a TRPA1 agonist[1][2][3].

Methyl syringate is a benzoate ester obtained by the formal condensation of carboxy group of syringic acid with methanol. It has a role as a plant metabolite. It is a benzoate ester, a dimethoxybenzene and a member of phenols. It derives from a syringic acid.

Methyl syringate Basic Attributes

Molecular Weight：

212.2

Exact Mass：

212.20

BRN：

2217524

EC Number：

429-050-5

UNII：

W5A196MP8A

NSC Number：

611398

DSSTox ID：

DTXSID00237016

HScode：

2918990090

Characteristics

PSA：

XLogP3：

1.4

Appearance：

White to off-white crystalline powder

Density：

1.2±0.1 g/cm3

Melting Point：

64.5-65.0 °C @ Solvent: Ethanol, 40%, Acetic acid, 10%

Boiling Point：

339.9°C at 760 mmHg

Flash Point：

132.4±20.0 °C

Refractive Index：

1.525

Water Solubility：

soluble in alcohol, ether, slightly soluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

37/39-26-60-37

Marks：

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

methyl syringate

Computed Properties

Molecular Weight:212.20
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:212.06847348
Monoisotopic Mass:212.06847348
Topological Polar Surface Area:65
Heavy Atom Count:15
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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