Toluene diisocyanate manufacturer Knowledge 2-Methyl-1-butene-3-yne 2-Methyl-1-buten-3-yen

2-Methyl-1-butene-3-yne 2-Methyl-1-buten-3-yen

2-methyl-1-butene-3-yne structural formula

Structural formula

Business number 01NL
Molecular formula C5H6
Molecular weight 66.10
label

isopropenyl acetylene,

2-Methyl-3-yne-1-butene,

2-Methyl-1-butenyne,

2-Methylbutenyne,

Isopropenylacetylene,

H2C=C(CH3)C≡CH

Numbering system

CAS number:78-80-8

MDL number:MFCD00008599

EINECS number:201-144-9

RTECS number:EN0960000

BRN number:969175

PubChem number:24896828

Physical property data

1. Properties: Colorless liquid, tear-inducing

2. Density (g/mL, 25/4℃): 0.69

3. Relative vapor density (g /mL, air=1): 2.3

4. Melting point (ºC): -113℃

5. Boiling point (ºC, normal pressure): 33~34℃

6. Liquid phase standard hot melt (J·mol-1·K-1): 153.3

7. Refractive index: Uncertain

8. Flash point (ºC): -7℃/open cup

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa ): Uncertain

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

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

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

19. Solubility: Slightly soluble in water, miscible in acetone, ethanol, benzene, tetrachloride carbon.

Toxicological data

1. Acute toxicity

Rat caliber LD50: 639mg/kg; mouse inhalation LC50: 12600mg/m3;

Mouse caliber LD50: 350mg/kg; mouse Abdominal LD50:>500mg/kg;

2. Neurotoxicity

Rabbit skin test: 500mg/24H;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 22.60

2. Molar volume (cm3/mol): 89.7

3. Isotonic specific volume (90.2K ): 195.2

4. Surface tension (dyne/cm): 22.4

5. Dielectric constant (F/m): 2.63

6. Polarizability (10-24cm3): 8.96

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 79.5

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 yet

Storage method

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

Synthesis method

None yet

Purpose

Used as chemical intermediates, special fuels, and organic synthesis intermediates.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/23442

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