3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- supplier

Name
4-methyl-3-(propan-2-yl)pent-3-en-1-yne
EINECS
CAS No. 61786-07-0
Article Data5
CAS DataBase
Density 0.791g/cm³
Solubility
Melting Point
Formula C₉H₁₄
Boiling Point 143.5°Cat760mmHg
Molecular Weight 122.21
Flash Point 29.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Penten-1-yne,3-isopropyl-4-methyl- (6CI);3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- (9CI);3-Isopropyl-4-methyl-3-penten-1-yne;
PSA
LogP

3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- Specification

This chemical is called 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-, and its systematic name is 4-methyl-3-(propan-2-yl)pent-3-en-1-yne. With the molecular formula of C₉H₁₄, its molecular weight is 122.21. The CAS registry number of this chemical is 61786-07-0.

Other characteristics of the 3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 569.28; (6)ACD/BCF (pH 7.4): 569.28; (7)ACD/KOC (pH 5.5): 3264.86; (8)ACD/KOC (pH 7.4): 3264.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 41.27 cm³; (15)Molar Volume: 154.4 cm³; (16)Polarizability: 16.36×10^-24cm³; (17)Surface Tension: 25.2 dyne/cm; (18)Density: 0.791 g/cm³; (19)Flash Point: 29.2 °C; (20)Enthalpy of Vaporization: 36.49 kJ/mol; (21)Boiling Point: 143.5 °C at 760 mmHg; (22)Vapour Pressure: 6.67 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C#C/C(=C(/C)C)C(C)C
2.InChI: InChI=1/C9H14/c1-6-9(7(2)3)8(4)5/h1,7H,2-5H3
3.InChIKey: KKGAIKSIOQULJJ-UHFFFAOYAS

Product Name

4-methyl-3-(propan-2-yl)pent-3-en-1-yne

3-Penten-1-yne, 4-methyl-3-(1-methylethyl)- Specification

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