2-Hepten-4-yn-1-ol,6,6-dimethyl- supplier

Name
1-HYDROXY-6,6-DIMETHYL-2-HEPTENE-4-YNE
EINECS
CAS No. 114311-70-5
Article Data4
CAS DataBase
Density 0.912 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O
Boiling Point 229.089 °C at 760 mmHg
Molecular Weight 138.21
Flash Point 99.126 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6, 6-Dimethylhept-2-en-4-yn-1-ol;
PSA 20.23000
LogP 1.58440

2-Hepten-4-yn-1-ol,6,6-dimethyl- Specification

The 2-Hepten-4-yn-1-ol, 6, 6-dimethyl-, with the CAS registry number of 114311-70-5, is also known as 1-Hydroxy-6,6-dimethyl-2-heptene-4-yne. This chemical's molecular formula is C₉H₁₄O and molecular weight is 138.21. What's more, its systematic name is 6, 6-Dimethylhept-2-en-4-yn-1-ol.

Physical properties about 2-Hepten-4-yn-1-ol, 6, 6-dimethyl- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.112; (4)ACD/LogD (pH 7.4): 2.112; (5)ACD/BCF (pH 5.5): 23.711; (6)ACD/BCF (pH 7.4): 23.711; (7)ACD/KOC (pH 5.5): 335.587; (8)ACD/KOC (pH 7.4): 335.587; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 43.308 cm³; (15)Molar Volume: 151.57 cm³; (16)Surface Tension: 34.524 dyne/cm; (17)Density: 0.912 g/cm³; (18)Flash Point: 99.126 °C; (19)Enthalpy of Vaporization: 54.139 kJ/mol; (20)Boiling Point: 229.089 °C at 760 mmHg; (21)Vapour Pressure: 0.014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)C#CC=CCO
(2) InChI: InChI=1/C9H14O/c1-9(2,3)7-5-4-6-8-10/h4,6,10H,8H2,1-3H3
(3) InChIKey: GALYLLJOCKLAGD-UHFFFAOYAB

Product Name

1-HYDROXY-6,6-DIMETHYL-2-HEPTENE-4-YNE

2-Hepten-4-yn-1-ol,6,6-dimethyl- Specification

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