trans-3-Hexen-1-ol - CAS 928-97-2
Catalog: |
BB040705 |
Product Name: |
trans-3-Hexen-1-ol |
CAS: |
928-97-2 |
Synonyms: |
(E)-hex-3-en-1-ol |
IUPAC Name: | (E)-hex-3-en-1-ol |
Description: | trans-3-Hexen-1-ol (CAS# 928-97-2) is a volatile compound which is part of the aromatic profile of Tempranillo Blanco wines. |
Molecular Weight: | 100.16 |
Molecular Formula: | C6H12O |
Canonical SMILES: | CCC=CCCO |
InChI: | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+ |
InChI Key: | UFLHIIWVXFIJGU-ONEGZZNKSA-N |
Boiling Point: | 156.50 °C (EPI 4.0) |
Melting Point: | 1°C |
Flash Point: | 44.4°C |
Purity: | 98.0 % (sum of isomers) |
Density: | 0.843 g/cm3 |
Solubility: | Very slightly soluble in water. |
Appearance: | Colorless liquid |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
LogP: | 1.33500 |
Refractive Index: | 1.435 : 1.445 at 20 deg C |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids. |
GHS Hazard Statement: | H226 (90.49%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22714804 | 20120901 | Genetic variation in the odorant receptor OR2J3 is associated with the ability to detect the 'grassy' smelling odor, cis-3-hexen-1-ol | Chemical senses |
22777789 | 20120830 | Studies in search of selective detection of isomeric biogenic hexen-1-ols and hexanal by flowing afterglow tandem mass spectrometry using [H3O]+ and [NO]+ reagent ions | Rapid communications in mass spectrometry : RCM |
22520499 | 20120601 | Phytochemicals to suppress Fusarium head blight in wheat-chickpea rotation | Phytochemistry |
22732623 | 20120601 | Attraction of Agrilus planipennis (Coleoptera: Buprestidae) to a volatile pheromone: effects of release rate, host volatile, and trap placement | Environmental entomology |
22606813 | 20120401 | Influence of trap color and host volatiles on capture of the emerald ash borer (Coleoptera: Buprestidae) | Journal of economic entomology |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 100.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 100.088815002 |
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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