4-Dimethoxybenzaldehyde

2-Carboxy-3,4-dimethoxybenzaldehyde

Published by BDMAEE on 2024-03-29 | Permalink

Structural formula

Business number	05CB
Molecular formula	C10H10O5
Molecular weight	210.19
label	5,6-Dimethoxy-2-carboxylic acid, opiate acid, 6-Formyl-2,3-dimethoxybenzoic acid

Numbering system

CAS number:519-05-1

MDL number:MFCD00039572

EINECS number:208-261-4

RTECS number:None

BRN number:2696087

PubChem ID:None

Physical property data

1. Character: Undetermined

2. Density (g/ cm³,25/4): Undetermined

3. relative Vapor density (g/cm³,air=1): Undetermined

4. Melting point (ºC):145-148

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,8kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash Point (ºF): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index:53.29

2. Molar volume (m³/mol):161.6

3. Isotonic specific volume (90.2K):427.7

4. Surface Tension (dyne/cm):49.0

5. Polarizability（10^-24cm³ ): 21.12

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 72.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 240

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bonds.Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

3,4-Dimethoxybenzaldehyde

Published by BDMAEE on 2024-02-20 | Permalink

Structural formula

Business number	03BR
Molecular formula	C9H10O3
Molecular weight	166.17
label	veratraldehyde, Veratraldehyde, Veratric aldehyde, 3,4-Dimethoxybenzenecarbonal, synergist, food additives, Flavor enhancer

Numbering system

CAS number:120-14-9

MDL number:MFCD00003363

EINECS number:204-373-2

RTECS number:YX5088000

BRN number:473899

PubChem number:24890067

Physical property data

1. Properties: colorless needle-like crystals

2. Density (g/mL, 25℃): 1.114

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): 42~43

5. Boiling point (ºC, normal pressure): 281

6. Boiling point (ºC, 2.4KPa): 172-175

7. Refractive index: Undetermined

8. Flash point (ºC): >100

9 . Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility : Insoluble in cold water, slightly soluble in hot water, easily soluble in alcohol and ether.

Toxicological data

1. Irritation: Rabbit transdermal standard Drez test: 500mg/24H Moderate irritation

2. Acute toxicity: Rat oral LD50: 2000mg/kg

Mouse oral LD50: 3200mg/kg

Rabbit transdermal LD5O: >5g/kg

Ecological data

Slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 46.36

2. Molar volume (cm³/mol): 149.1

3. Isotonic specific volume (90.2K): 365.6

4. Surface tension (dyne/cm): 36.1

5. Polarizability (10^-24cm³): 18.37

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 35.5

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 147

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Found in burley tobacco leaves.

3. Naturally found in small amounts in essential oils such as citronella oil.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and water. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment.

Synthesis method

Obtained from the interaction between vanillin and dimethyl sulfate.

Purpose

1. This product is an organic synthesis intermediate. It is used in the pharmaceutical industry to synthesize the drug methyldopa, and is also used to produce the veterinary drug sulfa synergist Ditrizozin.

2. Used in frosting, baked goods, and candies.

3. A small amount is used in daily chemical fragrance formulas. In addition to being used as a spice, it is also used as a synthetic pharmaceutical intermediate.