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3,4-Dihydroxybenzaldehyde

3,4-Dihydroxybenzaldehyde structure

CAS No:
139-85-5
Formula:
C7H6O3
Chemical Name:
3,4-Dihydroxybenzaldehyde
Synonyms:
Benzaldehyde,3,4-dihydroxy-;Protocatechualdehyde;3,4-Dihydroxybenzaldehyde;3,4-Dihydroxybenzenecarbonal;Protocatechuic aldehyde;4-Formyl-1,2-dihydroxybenzene;Rancinamycin IV;1,2-Dihydroxy-4-formylbenzene;NC 033;4-Formyl-1,2-benzenediol;Catechaldehyde;NSC 22961;4-Formylcatechol;3,4-Dihydroxybezaldehyde;4-Formyl-2-hydroxyphenol
Categories:
Cosmetic Ingredient > Bleaching Agent

Description

Brown powderIs a phenolic aldehyde crystalline compound with the molecular formula C7H6O3. The compound is released from cork stoppers into wine. Also known as procatechuic aldehyde, protocatechualdehyde can be found in barley, grapevine, green Cavendish, and root of herb S. miltiorrhiza. The compound contains pro-apoptotic and antiproliferative properties against human breast cancer cells as well as colorectal cancer cells by reducing the expression of cyclin D1 and β-catenin.

3,4-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.|Also known as protocatechuic aldehyde, protocatechualdehyde is a naturally-occuring phenolic aldehyde that is found in barley, green cavendish bananas, grapevine leaves and root of the herb S. miltiorrhiza. Protocatechualdehyde possesses antiproliferative and pro-apoptotic properties against human breast cancer cells and colorectal cancer cells by reducing the expression of pro-oncogenes β-catenin and cyclin D1.

3,4-Dihydroxybenzaldehyde Basic Attributes

Molecular Weight：

138.12100

Exact Mass：

138.12

EC Number：

205-377-7

UNII：

4PVP2HCH4T

NSC Number：

22961

DSSTox ID：

DTXSID4074512

HScode：

29124900

Characteristics

PSA：

57.53000

XLogP3：

1.3

Appearance：

brown powder

Density：

1.409g/cm3

Melting Point：

153 °C (decomp)

Boiling Point：

295.4ºC at 760mmHg

Flash Point：

146.7ºC

Refractive Index：

1.674

Water Solubility：

50 g/L (20 ºC)

Storage Conditions：

2-8ºC

Vapor Pressure：

0.000867mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

UL0380000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong bases, strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.92%): 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 136 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

MeSH Entry Terms：

3,4-dihydroxybenzaldehyde

3,4-Dihydroxybenzaldehyde Use and Manufacturing

Uses

This aldehyde (FW = 138.12 g/mol), also known as 3,4- dihydroxybenzaldehyde and 4-formylcatechol, is soluble in water (5 g/100 mL at 20°C) and has a pKa value of 7.55 at 25°C. Protocatechualdehyde induces apoptosis in cytotoxic T cells. Target(s): aldehyde oxidase; aldose reductase; b-carotene 15,15’-monooxygenase; mandelonitrile lyase; protocatechuate 3,4-dioxygenase; protocatechuate 4,5- dioxygenase; tyrosinase, weakly inhibited, IC50 = 620 μM; and xanthine oxidase.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:138.12
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:138.031694049
Monoisotopic Mass:138.031694049
Topological Polar Surface Area:57.5
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

3-Hydroxybenzaldehyde

Catechol

Vanillin

Downstream Products

Acetaldehyde

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Guide of 3,4-Dihydroxybenzaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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3,4-Dihydroxybenzaldehyde

SDS

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