2-Methyl-3-buten-2-ol - CAS 115-18-4
Catalog: |
BB003503 |
Product Name: |
2-Methyl-3-buten-2-ol |
CAS: |
115-18-4 |
Synonyms: |
3-Buten-2-ol, 2-methyl-; 1,1-Dimethyl-2-propen-1-ol; 1,1-Dimethyl-2-propenyl alcohol; 1,1-Dimethylallyl alcohol; 2-Hydroxy-2-methyl-3-butene; 2-Methyl-2-hydroxy-3-butene; 2-Methyl-3-buten-2-yl alcohol; 3-Hydroxy-3-methyl-1-butene; 3-Hydroxy-3-methylbutene; 3-Methyl-1-buten-3-ol; 3-Methyl-3-hydroxybutene; Dimethylvinylcarbinol; Dimethylvinylmethanol; NSC 15977; Vinyldimethylcarbinol; α,α-Dimethylallyl alcohol |
IUPAC Name: | 2-methylbut-3-en-2-ol |
Molecular Weight: | 86.13 |
Molecular Formula: | C5H10O |
Canonical SMILES: | CC(C)(C=C)O |
InChI: | InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3 |
InChI Key: | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
Boiling Point: | 97°C |
Melting Point: | -28°C |
Flash Point: | 13°C |
Purity: | 95% |
Density: | 0.8279 g/cm3 |
Appearance: | Colourless Liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00004470 |
LogP: | 0.94330 |
Refractive Index: | 1.416 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 23.5 [mmHg] |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22849588 | 20120904 | Organosulfates as tracers for secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) in the atmosphere | Environmental science & technology |
22849837 | 20120601 | The sedative effects of hops (Humulus lupulus), a component of beer, on the activity/rest rhythm | Acta physiologica Hungarica |
22207146 | 20120501 | Improved lycopene production by Blakeslea trispora with isopentenyl compounds and metabolic precursors | Biotechnology letters |
22162874 | 20120301 | Identification, functional characterization, and regulation of the enzyme responsible for floral (E)-nerolidol biosynthesis in kiwifruit (Actinidia chinensis) | Journal of experimental botany |
22194447 | 20120301 | Bacterial degradation of tert-amyl alcohol proceeds via hemiterpene 2-methyl-3-buten-2-ol by employing the tertiary alcohol desaturase function of the Rieske nonheme mononuclear iron oxygenase MdpJ | Journal of bacteriology |
Complexity: | 55 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 86.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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