6,6-Dimethyl-1-hepten-4-yn-3-ol supplier

Name
6,6-Dimethyl-1-hepten-4-yn-3-ol
EINECS
CAS No. 78629-20-6
Article Data10
CAS DataBase
Density 0.901 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O
Boiling Point 187.181 °C at 760 mmHg
Molecular Weight 138.21
Flash Point 72.752 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,6-Dimethylhept-1-ene-4-yne-3-ol;
PSA 20.23000
LogP 1.58280

6,6-Dimethyl-1-hepten-4-yn-3-ol Specification

The 6,6-Dimethyl-1-hepten-4-yn-3-ol, with the CAS registry number 78629-20-6, is also known as 3-Hydroxy-6,6-dimethyl-1-heptene-4-yne. This chemical's molecular formula is C₉H₁₄O and molecular weight is 138.21. Its systematic name is called 6,6-dimethylhept-1-en-4-yn-3-ol.

Physical properties of 6,6-Dimethyl-1-hepten-4-yn-3-ol: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 28; (5)ACD/BCF (pH 7.4): 28; (6)ACD/KOC (pH 5.5): 380; (7)ACD/KOC (pH 7.4): 380; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 42.934 cm³; (13)Molar Volume: 153.426 cm³; (14)Surface Tension: 32.59 dyne/cm; (15)Density: 0.901 g/cm³; (16)Flash Point: 72.752 °C; (17)Enthalpy of Vaporization: 49.278 kJ/mol; (18)Boiling Point: 187.181 °C at 760 mmHg; (19)Vapour Pressure: 0.178 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#CC(O)\C=C)C(C)(C)C
(2)InChI: InChI=1/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3
(3)InChIKey: MOWPBNFGGOHZRW-UHFFFAOYAS

Product Name

6,6-Dimethyl-1-hepten-4-yn-3-ol

6,6-Dimethyl-1-hepten-4-yn-3-ol Specification

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