(R)-2-Octanol - CAS 5978-70-1

Catalog:	BB030504
Product Name:	(R)-2-Octanol
CAS:	5978-70-1
Synonyms:	(2R)-2-octanol; (2R)-octan-2-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(2R)-octan-2-ol
Description:	(R)-2-Octanol (CAS# 5978-70-1) is a useful research chemical.
Molecular Weight:	130.23
Molecular Formula:	C8H18O
Canonical SMILES:	CCCCCCC(C)O
InChI:	InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChI Key:	SJWFXCIHNDVPSH-MRVPVSSYSA-N
Boiling Point:	175 °C / 760 mmHg
Flash Point:	76 °C(168.8 °F)
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	0.819 g/mL
Appearance:	Colorless liquid
Storage:	Room temperature.
MDL:	MFCD00064284
LogP:	2.33760
Refractive Index:	1.43
Vapor Pressure:	0.19 [mmHg]

Publication Number	Title	Priority Date
US-2021318315-A1	Ultra-high-throughput microfluidic enzyme screening platform for enzyme development	20200413
WO-2021209818-A1	Ultra-high-throughput microfluidic enzyme screening platform for enzyme development	20200413
WO-2021127096-A1	Methods of detecting lipoarabinomannan and diagnosing nontuberculosis mycobacterial infection	20191217
WO-2020222010-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430
WO-2020222011-A1	Itaconic acid derivatives and uses thereof in treating an inflammatory disease or a disease associated with an undesirable immune response	20190430

PMID	Publication Date	Title	Journal
22847187	20121001	Immobilization of Pseudomonas fluorescens lipase onto magnetic nanoparticles for resolution of 2-octanol	Applied biochemistry and biotechnology
22079751	20120101	Evaluation of parallel milliliter-scale stirred-tank bioreactors for the study of biphasic whole-cell biocatalysis with ionic liquids	Journal of biotechnology
20035369	20100401	Purification and characterization of an anti-Prelog alcohol dehydrogenase from Oenococcus oeni that reduces 2-octanone to (R)-2-octanol	Biotechnology letters
16794770	20060701	Anti-prelog reduction of prochiral carbonyl compounds by Oenococcus oeni in a biphasic system	Biotechnology letters
16891665	20060701	Effect of lipase immobilization on resolution of (R, S)-2-octanol in nonaqueous media using modified ultrastable-Y molecular sieve as support	Applied biochemistry and biotechnology

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GHS Hazard Statement:	H315 (84.78%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	52.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	130.135765193
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.135765193
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9