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3,4-Dihydroxy-5-methoxybenzaldehyde

3,4-Dihydroxy-5-methoxybenzaldehyde structure

CAS No:
3934-87-0
Formula:
C8H8O4
Chemical Name:
3,4-Dihydroxy-5-methoxybenzaldehyde
Synonyms:
Benzaldehyde,3,4-dihydroxy-5-methoxy-;Protocatechualdehyde,5-methoxy-;3,4-Dihydroxy-5-methoxybenzaldehyde;5-Hydroxyvanillin;4,5-Dihydroxy-3-methoxybenzaldehyde;NSC 16679;3-Methoxy-4,5-dihydroxybenzaldehyde
Categories:
Cosmetic Ingredient > Hair Dyeing

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3,4-Dihydroxy-5-methoxybenzaldehyde Basic Attributes

Molecular Weight：

168.15

Exact Mass：

168.15

EC Number：

223-513-3

UNII：

NHS89FSM17

NSC Number：

16679

DSSTox ID：

DTXSID30192563

HScode：

2912499000

Characteristics

PSA：

66.8

XLogP3：

1.05

Density：

1.4±0.1 g/cm3

Melting Point：

129-131 °C

Boiling Point：

339.9±37.0 °C at 760 mmHg

Flash Point：

143.1±20.0 °C

Refractive Index：

1.631

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

CU5620000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): 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 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Dihydroxy-5-methoxybenzaldehyde Use and Manufacturing

Methods of Manufacturing

Bromination with vanillin with bromine to produce 5-bromovanillin, the latter is reacted with sodium hydroxide solution with the participation of copper powder to prepare the product.

Uses

Intermediate of bifendate.

Computed Properties

Molecular Weight:168.15
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Vanillin

Sodium methoxide

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Guide of 3,4-Dihydroxy-5-methoxybenzaldehyde

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3,4-Dihydroxy-5-methoxybenzaldehyde

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