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Ethyl 3,4-dihydroxybenzoate

Ethyl 3,4-dihydroxybenzoate structure

CAS No:
3943-89-3
Formula:
C9H10O4
Chemical Name:
Ethyl 3,4-dihydroxybenzoate
Synonyms:
Benzoic acid,3,4-dihydroxy-,ethyl ester;Protocatechuic acid,ethyl ester;Ethyl protocatechuate;3,4-Dihydroxybenzoic acid ethyl ester;Ethyl 3,4-dihydroxybenzoate;NSC 619681;NSC 86130
Categories:
Chemical Reagents > Organic Reagents

Description

pale yellow to beige crystalline powder

Ethyl 3,4-dihydroxybenzoate is an ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa. It has a role as an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor, an antibacterial agent, an antioxidant, an apoptosis inducer and a plant metabolite. It is an ethyl ester and a member of catechols. It derives from a 3,4-dihydroxybenzoic acid.

Ethyl 3,4-dihydroxybenzoate Basic Attributes

Molecular Weight：

182.17

Exact Mass：

182.17

BRN：

2097435

EC Number：

223-529-0

UNII：

4YGJ96WTBG

NSC Number：

619681|86130

DSSTox ID：

DTXSID2057732

HScode：

2918290000

Characteristics

PSA：

66.8

XLogP3：

1.8

Appearance：

Pale yellow to beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

129-130 °C

Boiling Point：

275.56°C (rough estimate)

Flash Point：

147.0±15.8 °C

Refractive Index：

1.574

Water Solubility：

Insoluble in water. soluble in ethanol.

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (95.12%): 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 82 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dihydroxybenzoic acid ethyl ester

Ethyl 3,4-dihydroxybenzoate Use and Manufacturing

Methods of Manufacturing

It is derived from the esterification of 3, 4-dihydroxybenzoic acid and ethanol.

Uses

An antioxidant compound found in Sicilian virgin olive oils and red wines.

Use Classification：

Food Additives -> ANTIOXIDANT; -> JECFA Functional Classes

Food Additive Classes：

Food Additives -> ANTIOXIDANT;

Computed Properties

Molecular Weight:182.17
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:66.8
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 3,4-dihydroxybenzoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Latest News
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Ethyl 3,4-dihydroxybenzoate

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