2-ethoxy-5-(1-propenyl)phenol

2-ethoxy-5-(1-propenyl)phenol structural formula

Structural formula

Business number 028A
Molecular formula C11H14O2
Molecular weight 178.23
label

2-ethoxy-5-(1-propenyl)phenol,

1-ethoxy-2-hydroxy-4-isopropylenebenzene,

Rich and fragrant vanillin,

Propenylguaethol,

C2H5OC6H3(CH=CHCH3)OH

Numbering system

CAS number:94-86-0

MDL number:MFCD00009283

EINECS number:202-370-0

RTECS number:SL3850000

BRN number:None

PubChem number:24853639

Physical property data

1. Properties: scaly white crystals or powder. It has a strong aroma similar to vanillin.

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

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

4. Melting point (ºC): 86-88

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

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

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) distribution coefficient: Undetermined

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

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

19. Solubility: Easily soluble in most vegetable oils, edible solvents and essential oils , extremely difficult to dissolve in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 2400mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.33

2. Molar volume (cm3/mol): 169.3

3. Isotonic specific volume (90.2K ): 421.6

4. Surface tension (dyne/cm): 38.4

5. Polarizability (10-24cm3): 21.93

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 29.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 166

10 , Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of stereocenters of determined chemical bonds: 1

14. The number of stereocenters of uncertain chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is produced by alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenylbenzene in ethanol or methanol solution at 150~190? and under pressure; or in ethylene glycol solution at normal pressure Hydrolyzed by heating.

Purpose

GB 2760-1996 stipulates that edible spices are temporarily allowed to be used. Mainly used as vanillin substitute and preparation of chocolate flavor.

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2,5-diethoxyaniline

2,5-diethoxyaniline structural formula

Structural formula

Business number 0289
Molecular formula C10H15NO2
Molecular weight 181.24
label

(C2H5O)2C6H3NH2

Numbering system

CAS number:94-85-9

MDL number:MFCD00015144

EINECS number:202-369-5

RTECS number:None

BRN number:880466

PubChem number:24874398

Physical property data

1. Characteristics: Undetermined

2. Density (g/mL, 20?): 1.034

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

4. Melting point (ºC): 85-88

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

6. Boiling point ( ºC, 30mmHg): 190-192

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation Degree (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: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 53.11

2. Molar volume (cm3/mol): 172.7

3. Isotonic specific volume (90.2K ): 426.0

4. Surface tension (dyne/cm): 37.0

5. Polarizability (10-24cm3): 21.05

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: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 44.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 141

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

None

Storage method

None

Synthesis method

None

Purpose

used forOrganic Synthesis.

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4-(4-Chloro-2-methylphenoxy)butyric acid

4-(4-chloro-2-methylphenoxy)butyric acid structural formula

Structural formula

Business number 0287
Molecular formula C11H13ClO3
Molecular weight 228
label

2-Methyl-4-chlorobutyric acid,

2-Methyl-4-chlorophenoxybutyric acid,

Bexone, Thitrol, Trifolex,

herbicide

Numbering system

CAS number:94-81-5

MDL number:MFCD00002820

EINECS number:202-365-3

RTECS number:ES8575000

BRN number:2215202

PubChem number:24862225

Physical property data

1. Properties: Crystalline solid.

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

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

4. Melting point (ºC): 99?100

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

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

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) distribution coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, phenol, soluble in ethanol.

Toxicological data

1. Acute toxicity: Rat oral LD50: 680mg/kg; Mouse oral LD50: 800mg/kg;

2. Mutagenicity

Yeast gene conversion And mitotic recombination: 13500?mol/L;

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 58.11

2. Molar volume (cm3/mol): 185.8

3. Isotonic specific volume (90.2K ): 478.6

4. Surface tension (dyne/cm): 44.0

5. Polarizability (10-24cm3): 23.03

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: 3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 208

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.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is 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

This product is produced by the reaction of 2-methyl-4-chlorophenol and ?-butyrolactone.

Purpose

Used as agricultural herbicide.

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