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Methyl vanillate

Methyl vanillate structure

CAS No:
3943-74-6
Formula:
C9H10O4
Chemical Name:
Methyl vanillate
Synonyms:
Benzoic acid,4-hydroxy-3-methoxy-,methyl ester;Vanillic acid,methyl ester;Methyl 3-methoxy-4-hydroxybenzoate;Methyl vanillate;Methyl 4-hydroxy-3-methoxybenzoate;4-Hydroxy-3-methoxybenzoic acid methyl ester;NSC 74385;1220026-96-9
Categories:
Cosmetic Ingredient > Perfuming

Description

Methyl vanillate, one of the ingredients in Hovenia dulcis Thunb, is a Wnt/β-catenin pathway activator[1]. A benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite.

Methyl vanillate is a benzoate ester that is the methyl ester of vanillic acid. It has a role as an antioxidant and a plant metabolite. It is a benzoate ester, a member of phenols and an aromatic ether. It derives from a vanillic acid.

Methyl vanillate Basic Attributes

Molecular Weight：

182.175

Exact Mass：

182.17

EC Number：

223-525-9

UNII：

2HXG8QSO3D

NSC Number：

74385

DSSTox ID：

DTXSID5074345

HScode：

2918990090

Characteristics

PSA：

55.8

XLogP3：

1.8

Appearance：

pale yellow to beige powder and granules

Density：

1.2±0.1 g/cm3

Melting Point：

64 °C

Boiling Point：

286 °C

Flash Point：

120.2±15.8 °C

Refractive Index：

1.534

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S24/25

RTECS Number：

DH2430000

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.83%): 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 280 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

methyl vanillate

Methyl vanillate Use and Manufacturing

Uses

Methyl Vanillate maintains antimicrobial properties due to the phenylpropanoid moiety in the structure.

Manufacturing Info：

Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:182.17
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl vanillate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

Methyl vanillate

SDS

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