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Ethyl vanillate

Ethyl vanillate structure

CAS No:
617-05-0
Formula:
C10H12O4
Chemical Name:
Ethyl vanillate
Synonyms:
Benzoic acid,4-hydroxy-3-methoxy-,ethyl ester;Vanillic acid,ethyl ester;Ethyl vanillate;4-Hydroxy-3-methoxybenzoic acid ethyl ester;Ethyl 4-hydroxy-3-methoxybenzoate;Ethyl 3-methoxy-4-hydroxybenzoate;NSC 8513;Vanillin acid ethyl ester;1383616-21-4
Categories:
Cosmetic Ingredient > Perfuming

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Description

Solid. Insoluble in water; soluble in alcohol and ether.

Ethyl vanillate Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

BRN：

2100025

EC Number：

210-503-9

UNII：

V38JK4Z93O

NSC Number：

8513

DSSTox ID：

DTXSID2060670

HScode：

29189900

Characteristics

PSA：

55.8

XLogP3：

2.1

Appearance：

Burnt coffee odor.

Density：

1.2166 (rough estimate)

Melting Point：

44 °C

Boiling Point：

292 °C

Flash Point：

293°C

Refractive Index：

1.528

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

22-24/25-26

RTECS Number：

YW5425000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 127 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl vanillate Use and Manufacturing

Methods of Manufacturing

Synthesis of ethyl 4-hydroxy-3-methoxybenzoate: In a round bottomed flask equipped with a nitrogen inlet and a magnetic stir bar, a solution of vanillic acid (10 g, 59.49 mmol) in EtOH (400 mL) was added. To the above solution 600 mg (6.11 mmol) of cone. HIn a round bottomed flask equipped with a nitrogen inlet and a magnetic stir bar, a solution of 4-hydroxy-3- methoxybenzoic acid (10 g, 59.49 mmol) in EtOH (400 mL) was added. To the above solution 600 mg (6.11 mmol) of cone. H

Uses

Food preservative, medicine, sunburn preventive.

Manufacturing Info：

Benzoic acid, 4-hydroxy-3-methoxy-, ethyl 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:196.20
XLogP3:2.1
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

Recommended Suppliers of Ethyl vanillate

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Ethyl vanillate

CAS No.: 617-05-0

Content: 99.00%

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Ethyl 4-hydroxy-3-methoxybenzoate

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CAS No.: 617-05-0

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Content: 99%

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Guide of Ethyl vanillate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Ethyl vanillate

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