3-Methyl-1-penten-4-yn-3-ol - CAS 3230-69-1
Catalog: |
BB021252 |
Product Name: |
3-Methyl-1-penten-4-yn-3-ol |
CAS: |
3230-69-1 |
Synonyms: |
3-methylpent-1-en-4-yn-3-ol |
IUPAC Name: | 3-methylpent-1-en-4-yn-3-ol |
Description: | 3-Methyl-1-penten-4-yn-3-ol (CAS# 3230-69-1) is used as a building block in organic synthesis including that of primary allenic amines and alcohols and also of pluraflavin A "Aglycon" which is cytotoxic. |
Molecular Weight: | 96.13 |
Molecular Formula: | C6H8O |
Canonical SMILES: | CC(C=C)(C#C)O |
InChI: | InChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3 |
InChI Key: | VBATUBQIYXCZPA-UHFFFAOYSA-N |
Boiling Point: | 98 °C (50 mmHg) |
Purity: | 95 % |
Density: | 0.89 g/cm3 |
Appearance: | Reddish to yellow-brown liquid |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD01709006 |
LogP: | 0.55660 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112375091-A | Green synthesis process of alkynol double Grignard reagent | 20201208 |
WO-2021195037-A1 | Silicone rubber composition | 20200325 |
WO-2021195038-A1 | Silicone rubber composition | 20200325 |
WO-2021168041-A1 | Method for the in-situ encapsulation and/or insulation of piping | 20200219 |
WO-2021163826-A1 | Elastomeric silicone materials and applications thereof | 20200217 |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.057514874 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Alkynes
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS