3-Ethyl-1-pentyn-3-ol - CAS 6285-06-9
Catalog: |
BB031845 |
Product Name: |
3-Ethyl-1-pentyn-3-ol |
CAS: |
6285-06-9 |
Synonyms: |
3-ethylpent-1-yn-3-ol |
IUPAC Name: | 3-ethylpent-1-yn-3-ol |
Description: | 3-Ethyl-1-pentyn-3-ol (CAS# 6285-06-9) is a useful research chemical. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CCC(CC)(C#C)O |
InChI: | InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3 |
InChI Key: | PUNRPAWKFTXZIW-UHFFFAOYSA-N |
Boiling Point: | 138-140 °C |
Density: | 0.872 g/cm3 |
Appearance: | Light yellow clear liquid |
LogP: | 1.17070 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354511-A | Synthesis method of gem-1, 3-eneyne compound | 20210609 |
CN-111807941-A | Method for synthesizing alpha-diketone compound by catalyzing with metal salt | 20200731 |
WO-2021095685-A1 | Ink composition for water-based ballpoint pens | 20191113 |
WO-2020102892-A1 | 3'-unsaturated abscisic acid derivatives as aba antagonists | 20181119 |
EP-3883915-A1 | 3'-unsaturated abscisic acid derivatives as aba antagonists | 20181119 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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