Skip to main content
5-HEXEN-1-OL CAS#: 821-41-0
IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name5-HEXEN-1-OLIUPAC Namehex-5-en-1-olMolecular StructureCAS Registry Number 821-41-0EINECS Number212-477-4Beilstein Registry Number1236458Synonyms5-Hexen-1-ol821-41-0Hex-5-en-1-ol1-Hexen-6-ol5-Hexenol5-Hexene-1-olMFCD0000298157PD1RF6G75-Hexen-1-ol, 98%UNII-57PD1RF6G75-hexanolEINECS 212-477-46-hydroxy-1-hexenehex-1-en-6-olAI3-347975-HEXENOL 1-HEXENE-6-OLSCHEMBL41920HO(CH2)4CH=CH2DTXSID2074950FEMA NO. 4351BCP03575BBL102594STL556397AKOS009156957CS-W013711HY-W012995BP-31163MS-20464SY020861AM20100796H0653NS00022817EN300-98901A840257Q-200543Q27261513InChI=1/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6HMolecular FormulaC6H12OMolecular Weight100.16InChIInChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2InChI KeyUIZVMOZAXAMASY-UHFFFAOYSA-NIsomeric SMILESC=CCCCCO

Patent InformationPatent IDTitlePublication DateCN117586106Method for synthesizing alkyl aryl ether2024US2021/47254METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL2021CN112939807PYRROLOPYRIDAZINE DERIVATIVES2021CN112047816Method for synthesizing ether by catalyzing alcohol through trimethyl halosilane2020KR102037409Noble selenium ring compounds and manufacturing method for the same2019

Physical Data

AppearanceColorless to light yellow transparent liquid

Boiling Point, °CPressure (Boiling Point), Torr651872 - 732575 - 772064 - 6714140 - 1428 - 1012562 - 6312

Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C0.8554180.8354230.8494150.855490.834423.5

Description (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))Adsorption35 - 55quartz sand

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13Cchloroform-d1Chemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum1Hdimethylsulfoxide-d622.04400Chemical shifts, Spectrum13Cchloroform-d123.84100

Description (IR Spectroscopy)Solvent (IR Spectroscopy)BandsBandsBandsneat (no solvent)Bandsneat (no solvent)

Description (UV/VIS Spectroscopy)Absorption maxima

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 5-HEXEN-1-OL CAS# 821-41-0

ConditionsYieldWith tris(para-trifluoromethyl)phenyl phosphine; trans-dichloro-bis(ethene)(μ-dichloro)diplatinum(II) In 1,1,2,2-tetrachloroethane at 70℃;92%With ytterbium(III) triflate at 120℃; Inert atmosphere; Ionic liquid;88%With 1-ethyl-3-methylimidazolium triflate; ytterbium(III) triflate at 120℃; Inert atmosphere; regioselective reaction;88%

Safety and Hazards

Pictogram(s)SignalDangerGHS Hazard StatementsH226 (49.02%): Flammable liquid and vapor H314 (73.86%): Causes severe skin burns and eye damage H318 (42.48%): Causes serious eye damage Precautionary Statement CodesP210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from lightHS CodeStorageUnder room temperature away from lightShelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight100.161logP1.623HBA1HBD1Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)20.23Rotatable Bond (RotB)4Matching Veber Rules2

Use Pattern5-Hexen-1-ol, as a chemical intermediate, plays an important role in the synthesis of other organic compounds. It can be used as a raw material for polymers used to make products such as coatings, plastics and rubber. And 5-hexen-1-ol is an important pharmaceutical intermediate.
https://www.chemwhat.com/5-hexen-1-ol-cas-821-41-0/

Comments

Post a Comment

Popular posts from this blog

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Benzocyclobutene (BCB) is an organic compound with a rigid molecular structure composed of a conjugated benzene ring and a four-membered ring. Its excellent thermal stability and electrical properties have made it a highly promising candidate for next-generation electronic materials. Historically, its industrial adoption has been constrained by high production costs, complex purification processes, and limited output. However, with growing demand in high-end applications and recent advances in upstream technology, BCB is now poised for industrial-scale deployment. Material Properties and Structural Advantages BCB (C₈H₈) is a non-polar molecule, free of ester, carboxyl, or amide groups, giving it excellent dielectric properties and low moisture absorption. Its dielectric constant (Dk) and dissipation factor (Df) remain stable across wide temperature and frequency ranges—key metrics for ensuring signal integrity in high-frequency, high-speed communication systems. Unlike conventional m...
Post a Comment
Read more

BCB (Benzocyclobutene): — Watson International Enables the Transition from Concept to Scalable Application

Despite BCB’s well-established performance advantages, its commercialization has long been hindered by production cost and scalability challenges. Watson International has made critical breakthroughs in BCB industrialization through integrated innovation in synthesis, purification, and material formulation: Cost Reduction: By optimizing synthetic pathways and improving by-product recovery, Watson has significantly reduced the unit production cost of BCB, enabling cost-effective scaling; High Purity Production: Advanced purification and process control technologies ensure high-purity BCB under mass-production conditions—meeting stringent requirements from high-end electronic manufacturers; Versatile Co-polymerization: Watson’s BCB materials are compatible with other advanced resins such as BMI and PPO, allowing for custom co-polymer design and performance tuning.
Post a Comment
Read more

The World's Largest Producer of Squaric Acid Emerges: Watson Leads the Way

In a groundbreaking development for the chemical industry, Watson has officially claimed the title of the world’s largest producer of squaric acid. This achievement marks a significant milestone, positioning the company as a global leader in the production of this highly versatile compound, widely valued in pharmaceuticals, polymer research, and advanced materials. What is Squaric Acid? Squaric acid, also known as quadratic acid, is a four-carbon cyclic diketone with two ketone groups and two hydroxyl groups arranged symmetrically. It is renowned for its stability and strong acidity, making it a unique compound in both organic and inorganic chemistry. Its derivatives find applications in creating advanced coatings, conductive polymers, and as intermediates in drug synthesis. Watson: Redefining Excellence in Squaric Acid Production Watson’s rise to the top of the squaric acid industry is backed by its unmatched production capacity, cutting-edge technology, and unwavering commitment...
Post a Comment
Read more