Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Heptyn-3-ol |
EINECS | N/A |
CAS No. | 7383-19-9 | Density | 0.892 g/cm3 |
PSA | 20.23000 | LogP | 1.17070 |
Solubility | Slightly soluble in water. | Melting Point |
-20.62°C (estimate) |
Formula | C7H12O | Boiling Point | 154.8 °C at 760 mmHg |
Molecular Weight | 112.172 | Flash Point | 50.8 °C |
Transport Information | UN 1993 3/PG 3 | Appearance | clear colorless liquid |
Safety | 61 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
(3RS)-1-Heptyn-3-ol;(RS)-1-Heptyn-3-ol;3-Hydroxy-1-heptyne;Butylethynylcarbinol; |
Article Data | 36 |
The 1-Heptyn-3-ol with its cas register number is 7383-19-9. It also can be called as 3-Hydroxy-1-heptyne and the IUPAC Name about this chemical is hept-1-yn-3-ol. It belongs to the following product categories, such as Acetylenes, Acetylenic Alcohols & Their Derivatives and so on.
Physical properties about 1-Heptyn-3-ol are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.04; (5)ACD/BCF (pH 7.4): 9.04; (6)ACD/KOC (pH 5.5): 168.23; (7)ACD/KOC (pH 7.4): 168.23; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 33.8 cm3; (14)Molar Volume: 125.7 cm3; (15)Polarizability: 13.39x10-24cm3; (16)Surface Tension: 34 dyne/cm; (17)Enthalpy of Vaporization: 45.6 kJ/mol; (18)Vapour Pressure: 1.14 mmHg at 25°C.
Uses of 1-Heptyn-3-ol: it can be used to produce hept-1-yn-3-one. It will need reagent CrO3.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, please avoid release to the environment and refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(C#C)O
(2)InChI: InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3
(3)InChIKey: SHSFXAVQBIEYMK-UHFFFAOYSA-N