3-Methyl-3-buten-1-ol - CAS 763-32-6
Catalog: |
BB035553 |
Product Name: |
3-Methyl-3-buten-1-ol |
CAS: |
763-32-6 |
Synonyms: |
3-methylbut-3-en-1-ol |
IUPAC Name: | 3-methylbut-3-en-1-ol |
Description: | 3-Methyl-3-buten-1-ol (CAS# 763-32-6) is used in the synthesis of antiproliferative, antiandrogenic and cytotoxic caffeic acid derivatives. |
Molecular Weight: | 86.13 |
Molecular Formula: | C5H10O |
Canonical SMILES: | CC(=C)CCO |
InChI: | InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3 |
InChI Key: | CPJRRXSHAYUTGL-UHFFFAOYSA-N |
Boiling Point: | 132 °C |
Flash Point: | 36°C |
Purity: | > 98.0 % (GC) |
Density: | 0.853 g/mL at 25 °C (lit.) |
Solubility: | water, 3.507e+004 mg/L @ 25 °C (est) |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00002933 |
LogP: | 0.94490 |
Refractive Index: | n20/D 1.433(lit.) |
Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 20.0 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
22956327 | 20121015 | Simultaneous characterization of prenylated flavonoids and isoflavonoids in Psoralea corylifolia L. by liquid chromatography with diode-array detection and quadrupole time-of-flight mass spectrometry | Rapid communications in mass spectrometry : RCM |
22950022 | 20120601 | Debaryomyces hansenii strains differ in their production of flavor compounds in a cheese-surface model | MicrobiologyOpen |
22207146 | 20120501 | Improved lycopene production by Blakeslea trispora with isopentenyl compounds and metabolic precursors | Biotechnology letters |
22344911 | 20120201 | Determination of the volatile fraction of Polygonum bistorta L. at different growing stages and evaluation of its antimicrobial activity against two major honeybee (Apis mellifera) pathogens | Chemistry & biodiversity |
Complexity: | 47.9 |
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: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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