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Isoeugenol methyl ether

5月 22nd, 2024 News

isoeugenol methyl ether structural formula

Structural formula

Business number 025X
Molecular formula C11H14O2
Molecular weight 178.23
label

1,2-Dimethoxy-4-propenylbenzene,

isosafrole,

1,2-Dimethoxy-4-(1-propenyl)benzene,

Isoeugenol methyl ether,

3,4-Dimethoxy-1-propenylbenzene,

Methoxyisoeugenol,

1,2-Dimethoxy-4-propenylbenzene,

4-propenylveratrol,

Methyl isoeugenol,

Isoeugenol methyl ether,

1-(3,4-Dimethoxyphenyl)-1-propene,

1,3,4-Isoeugenol methylether

Numbering system

CAS number:93-16-3

MDL number:MFCD00009282

EINECS number:202-224-6

RTECS number:CZ7000000

BRN number:None

PubChem number:24901120

Physical property data

1. Character:Colorless to light yellow liquid. Sweet and floral spicy aroma, with carnation notes


2. Density (g/ mL,25/4? ): 1.053


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


4. Melting point (ºC): 62.6


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


6. Boiling point (ºC,80kPa):262-264


7. Refractive index:1.569


8. Flashpoint (ºC): 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 the partition coefficient of water) : Undetermined


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


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


19. Solubility:Soluble in ethanol, ether and benzene, slightly soluble in petroleum ether, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.49


2. Molar volume (m 3/mol):178.4


3. isotonic specific volume (90.2K):423.5


4. Surface Tension (dyne/cm):31.7


5. Polarizability?10-24cm3): 22.00

Compute chemical data

None

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place.

Synthesis method

It is produced by methylation of isoeugenol.

Purpose

Exists in a variety of essential oils and is used to prepare carnation and oriental essences, and is also used as a modifier for isoeugenol.

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Benzyltriethylammonium chloride

5月 21st, 2024 News

Benzyltriethylammonium chloride structural formula

Structural formula

Business number 017J
Molecular formula C13H22ClN
Molecular weight 227.78
label

Triethylbenzylammonium chloride,

TEBA,

Fungicide

Numbering system

CAS number:56-37-1

MDL number:MFCD00011824

EINECS number:200-270-1

RTECS number:BO8275000

BRN number:3574984

PubChem number:24848415

Physical property data

1. Properties: white crystal. Hygroscopic.

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

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

4. Melting point (ºC): 190? (decomposition)

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

6. Boiling point (ºC, 5.2kPa ): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

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

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

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

19. Solubility: Easily soluble in water.

Toxicological data

1. Acute toxicity: rat oral LD50: 2219mg/kg; mouse intravenous LC50: 18mg/kg

Ecological data

None

Molecular structure data

None

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: 1

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 135

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: 2

Properties and stability

Cannot be blended with anions.

Storage method

This product should be kept sealed and dry.

Synthesis method

1. Add benzyl chloride, triethylamine, and acetone to the reaction pot and reflux at 63-64°C for 8 hours. Slowly lower to 15°C, filter, wash the filter cake with acetone, and dry to obtain TEBA. The yield is 68.9%. The reaction formula is as follows:

2.Place 346.5 grams of triethylamine, 413.5 grams of chlorine and ethyl acetate in 238.6 grams of dimethylformamide (DMF) and reflux for 1 hour, add 300 Gram benzene,precipitates ammonium salt. Suction filter, wash with benzene, and vacuum dry to obtain 648 grams, purity 98.1%
You can also place 25 grams of triethylamine and 30 grams of benzyl chloride in 120 grams of dichloroethane and reflux for 2 hours to obtain 52.6 grams Products

Purpose

1. Alkylation reaction catalyst. Phase transfer catalyst. Multi-substituted cyclopropanes are synthesized through phase transfer catalytic Michael addition reaction.

2.This product is used as a fungicide.

3.Purpose phase transfer catalyst. Used in nucleophilic substitution, carbene reaction and alkylation reactions such as C-alkylation, N-alkylation, 0-alkylation and S-alkylation.

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4-Methyl-3-nitrobenzoic acid

5月 21st, 2024 News

4-methyl-3-nitrobenzoic acid structural formula

Structural formula

Business number 02BQ
Molecular formula C8H7NO4
Molecular weight 181.15
label

3-nitro-4-methylbenzoic acid,

3-Nitro-4-methylbenzoic acid

Numbering system

CAS number:96-98-0

MDL number:MFCD00007174

EINECS number:202-549-3

RTECS number:None

BRN number:1874411

PubChem ID:None

Physical property data

1. Appearance: white light yellow powder

2. Density (g/mL, 20?):

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

4. Melting point (ºC): 187-190

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

6. Boiling point (ºC, kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): Undetermined

p>

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: Undetermined OK

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 44.55

2. Molar volume (cm3/mol): 130.0

3. Isotonic specific volume (90.2K ): 362.5

4. Surface tension (dyne/cm): 60.3

5. Polarizability (10-24cm3): 17.66

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 83.1

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 223

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

Avoid contact with oxides.

StorageSaving method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

Used as pharmaceutical and dye intermediates.

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