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CAS No.: | 14916-79-1 |
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Name: | 3-Heptyn-1-ol |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H12O |
Molecular Weight: | 112.172 |
Synonyms: | 1-Hydroxy-3-heptyne; |
EINECS: | 238-985-6 |
Density: | 0.898 g/cm3 |
Melting Point: | -20.62°C (estimate) |
Boiling Point: | 196.5 °C at 760 mmHg |
Flash Point: | 82.9 °C |
Appearance: | Colourless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 36/37 |
PSA: | 20.23000 |
LogP: | 1.17230 |
The 3-Heptyn-1-ol is an organic compound with the formula C7H12O. The IUPAC name of this chemical is Hept-3-yn-1-ol. The CAS registry number of this chemical is 14916-79-1. The product's categories are Acetylenes; Acetylenic Alcohols and Their Derivatives; Alkynes; Internal; Organic Building Blocks. Besides, it is colourless liquid.
Physical properties about 3-Heptyn-1-ol are: (1)ACD/LogP: 1.52; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 8.39; (5)ACD/BCF (pH 7.4): 8.39; (6)ACD/KOC (pH 5.5): 159.53; (7)ACD/KOC (pH 7.4): 159.53; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 34.01 cm3; (14)Molar Volume: 124.8 cm3; (15)Polarizability: 13.48×10-24 cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 0.898 g/cm3; (18)Flash Point: 82.9 °C; (19)Enthalpy of Vaporization: 50.35 kJ/mol; (20)Boiling Point: 196.5 °C at 760 mmHg; (21)Vapour Pressure: 0.102 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-Bromo-propane. This reaction will need reagent HMPA and solvent tetrahydrofuran. The reaction time is 6 hours with reaction temperature of -78 - 20 °C. The yield is about 91%.
Uses of 3-Heptyn-1-ol: it can be used to produce Hept-3-ynoic acid at temperature of 0 - 16 °C. It will need reagents Na2Cr2O7•2H2O; NaIO4; HNO3 and solvent acetonitrile with reaction time of 20 hours. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
(2)InChIKey: PSWHODJVUOXHKA-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-3,6-7H2,1H3
(4)Std. InChIKey: PSWHODJVUOXHKA-UHFFFAOYSA-N