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3,4,5-Trimethoxytoluene

3,4,5-Trimethoxytoluene structure

CAS No:
6443-69-2
Formula:
C10H14O3
Chemical Name:
3,4,5-Trimethoxytoluene
Synonyms:
Benzene,1,2,3-trimethoxy-5-methyl-;Toluene,3,4,5-trimethoxy-;1,2,3-Trimethoxy-5-methylbenzene;3,4,5-Trimethoxytoluene;1-Methyl-3,4,5-trimethoxybenzene;3,4,5-Trimethoxy-1-methylbenzene;5-Methylpyrogallol trimethyl ether;2,6-Dimethoxy-4-methylanisole;5-Methyl-1,2,3-trimethoxybenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

CLEAR YELLOW LIQUID

3,4,5-Trimethoxytoluene is a member of methoxybenzenes.

3,4,5-Trimethoxytoluene Basic Attributes

Molecular Weight：

182.22

Exact Mass：

182.22

BRN：

1953791

EC Number：

229-239-0

DSSTox ID：

DTXSID80214683

HScode：

29093090

Characteristics

PSA：

27.7

XLogP3：

1.8

Appearance：

Clear yellow.

Density：

1.0±0.1 g/cm3

Melting Point：

32.7-35.4 °C @ Solvent: Water

Boiling Point：

68 °C @ Press: 0.03 Torr

Flash Point：

166 °F

Refractive Index：

1.487

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：

safety instructions：

23-24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Drug Information

MeSH Entry Terms：

3,4,5-trimethoxytoluene

3,4,5-Trimethoxytoluene Use and Manufacturing

Methods of Manufacturing

In a similar manner to Example 2, 10 g of 3, 4, 5-trimethoxy-benzaldehyde dissolved in 100 g of tetrahydrofuran were hydrogenated in the presence of 1 g of catalyst B. The aldehyde conversion rate was 100percent. The yield of the desired toluene derivative was 96percent, based on the total amount of aldehyde used.1 g of catalyst D in a catalyst basket insert was placed in a 300 ml pressure reactor and 10 g of 3, 4, 5-trimethoxybenzaldehyde in 100 g of methanol were added. The hydrogenation was carried out using pure hydrogen at a constant pressure of 200 bar and a temperature of 180° C. Hydrogenation was continued until hydrogen was no longer absorbed. The reactor was then depressurized. The aldehyde conversion rate was 100percent. The yield of the desired toluene derivative was 91percent, based on the total amount of aldehyde used.

Uses

Used as an intermediate for the intelligent promoter Idebenone Coenzyme Q10

Computed Properties

Molecular Weight:182.22
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.094294304
Monoisotopic Mass:182.094294304
Topological Polar Surface Area:27.7
Heavy Atom Count:13
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4,5-Trimethoxytoluene

CAS No.: 6443-69-2

Grade: industrial Grade

Content: 98%

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Guide of 3,4,5-Trimethoxytoluene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,4,5-Trimethoxytoluene

SDS

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