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2-naphthoic acid

5月 20th, 2024 News

2-naphthoic acid structural formula

Structural formula

Business number 025S
Molecular formula C11H8O2
Molecular weight 172.18
label

Beta-naphthoic acid,

?-Naphthalenecarboxylic acid,

2-Maythic acid,

2-Carboxynaphthalene

Numbering system

CAS number:93-09-4

MDL number:MFCD00004101

EINECS number:202-217-8

RTECS number:QL1050000

BRN number:972039

PubChem number:24886079

Physical property data

1. Character: white flake or needle crystal

2. Relative density (25?, 4?): 1.077100

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

4. Melting point (ºC): 185

5. Boiling point (ºC, normal pressure): >300

6. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -5239.5

7. Gas phase standard claimed heat (enthalpy) ( kJ·mol-1): -232.5

8. Flash point (ºC): 205

9. Crystalline phase standard heat of combustion (enthalpy) (kJ·mol-1): -5125.9

12. Crystal phase standard claims heat (enthalpy) (kJ·mol-1): – 346.1

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

13. Combustion Heat (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: Soluble in ether and alcohol, slightly soluble in hot water.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard class 1 (German Regulation) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 51.02

2. Molar volume (cm3/mol): 136.0

3. Isotonic specific volume (90.2K ):373.2

4. Surface tension (dyne/cm): 56.5

5. Polarizability (10-24cm3) ?20.22

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 200

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

?1) to ? –Methylnaphthalene is used as raw material and is obtained by liquid phase air oxidation; (2) is based on ?-Naphthylamine is used as raw material, diazotized with sodium nitrite in hydrochloric acid solution, reacted with copper cyanate to form naphthalene nitrile, neutralized in alkaline aqueous solution, and finally acidolyzed with acetic acid. .

Purpose

Used as raw material for photographic film base; in photosensitive resin, used for printed circuit boards, plate-making films, photoresists, and photosensitizers agent; modified additive for special resins; also used as plant growth regulator and dye raw material.

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Melatonin

5月 20th, 2024 News

Melatonin structural formula

Structural formula

Business number 01HD
Molecular formula C13H16N2O2
Molecular weight 232.28
label

melatonin,

N-Acetyl-5-methoxytryptamine,

N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide,

3-(N-Acetyl-2-aminoethyl)-5-methoxyindole,

N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide,

whitening cosmetics

Numbering system

CAS number:73-31-4

MDL number:MFCD00005655

EINECS number:200-797-7

RTECS number:AC5955000

BRN number:205542

PubChem number:24278103

Physical property data

1. Appearance: White or off-white crystalline powder

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

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

4. Melting point (ºC): 116.5-118 (lit.)

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

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil-water (octanol/water) distribution Log value of coefficient: Uncertain

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

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

19. Solubility: Uncertain

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 67.64

2. Molar volume (cm3/mol): 197.6

3. Isotonic specific volume (90.2K): 516.5

4. Surface tension (dyne/cm): 46.6

5. Polarizability (10-24cm3): 26.81

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. InterconversionNumber of isomers: 2

6. Topological molecule polar surface area 54.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 270

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12 .The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

Store in a cool and dry place.

Synthesis method

1. Melatonin exists in the pineal gland of the mammalian brain. The general method is to freeze-dry the pineal gland of the bovine brain, grind it into powder, and remove it with petroleum ether. Fat, mix evenly with deionized water to form a slurry. After centrifugation, take the supernatant and extract it with an equal volume of ethyl acetate. The extract is vacuum dried to obtain crude white melatonin, which is then recrystallized. Then you get the best product.

Purpose

1. Mainly used in whitening and moisturizing cosmetics, and also commonly used in hair growth products. The amount added to cosmetics is 0.05%.

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3,3′-diaminodipropylamine

5月 20th, 2024 News

3,3'-diaminodipropylamine structural formula

Structural formula

Business number 017A
Molecular formula C6H17N3
Molecular weight 131.22
label

3,3′-Iminodipropylamine,

N-(3-Aminopropyl)-1,3-propanediamine,

Dipropylenetriamine,

Norspermidine,

(NH2CH2CH2CH2)2NH

Numbering system

CAS number:56-18-8

MDL number:MFCD00008214

EINECS number:200-261-2

RTECS number:JL9450000

BRN number:1071254

PubChem number:24896102

Physical property data

1. Characteristics: Colorless liquid.


2. Density ( g/mL,25/4?) ?0.938


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


4. Melting point ( ºC): -14


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


6. Boiling point ( ºC, 6.67kPa): 151


7. Refractive index: 1.4810


8. Flash Point (ºC):118


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Not OK


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


12. Saturation 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/Water) partition coefficient pair Value: Undetermined


17. Explosion limit (%,V/V): Not OK


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


19. Solubility: soluble in water and polar organic solvents.

Toxicological data

1, skin or eyes Irritation: Rabbit, skin contact, open irritation test, 470mg, moderate reaction; Rabbit, eye contact, standard Draize test, 47mg, strong reaction
2, acute toxicity: rat oral LD50: 738mg /kg; Mouse oral administration LD50: 435mg/kg; Rabbit oral administration LD50: 210mg/kg; Rabbit, skin contact LD50: 110ul/kg?
Rat subcutaneous LDLo: 200mg/kg; guinea pig oral LD50 ?258mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 40.51


2.   Molar volume (m3 /mol):143.7


3. isotonic specific volume (90.2K):356.8


4. Surface Tension (dyne/cm):37.9


5. Polarizability?10-24cm3):16.06

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 3

p>

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 64.1

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 41.6

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

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

Synthesis method

None

Purpose

Affinity chromatography analysis of meta-amines. Intermediates for the manufacture of soap, dyes, rubber, and chemicals. Emulsifier. Pesticides and medicines.

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