1-Octanol

Product Information

Molecular Formula:
C8H18O
Molecular Weight:
130.23
Description
1-Octanol is a saturated fatty alcohol that is an inhibitor of T-type calcium channels with an IC50 of 4 μM to the native T-current. It is used as a spice, solvent, defoaming agent, industrial auxiliary agent, etc.
Synonyms
Octanol; Octyl Alcohol; 1-Hydroxyoctane; Caprylic Alcohol; Heptyl Carbinol; NSC 9823; Octilin; N-Octan-1-ol; N-Octanol; N-Octyl Alcohol
IUPAC Name
octan-1-ol
Canonical SMILES
CCCCCCCCO
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Boiling Point
194.7±3.0°C at 760 mmHg
Melting Point
−15°C
Flash Point
176.0 °F - closed cup
Purity
≥98%
Density
0.827 g/mL at 25°C
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance
Clear Colorless Liquid
Application
Used in perfumery, cosmetics, shampoos, emulsifiers, detergents, and food flavors; Also used as a solvent (esters, coatings, lacquers, printing inks, textile additives, and pesticides), citric acid extractant, frothing agent, antifoaming agent in drilling muds, and growth inhibitor in tobacco production.
Storage
Store at 2-8°C
Refractive Index
n20/D 1.429 (lit.)
Stability
Stable. Flammable. Incompatible with strong oxidizing agents.
LogP
log Kow = 3.00
Vapor Pressure
0.07 [mmHg]
Henry's Law Constant
2.5032X10-5 atm-cu m/mol at 25 °C
Odor
Fresh orange rose odor

Safety Information

Hazards
H319 - H412
Precautionary Statement
P273 - P305 + P351 + P338

Computed Properties

XLogP3
3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
6
Exact Mass
130.135765193 g/mol
Monoisotopic Mass
130.135765193 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
43.8
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-11033516-B1 Combination therapies with disulfiram 2020-09-18
US-11045793-B1 Controlled on-pot design of mixed copper/zinc oxides supported aluminum oxide as an efficient catalyst for conversion of syngas to heavy liquid hydrocarbons and alcohols under ambient conditions feasible for the Fischer-Tropsch synthesis 2020-07-24
US-11034664-B1 Synthesis of cyclic carbonate monomers 2020-05-11
US-2021017554-A1 Enzymatic Method for Selective Catalytic Preparation of 4-Octyl Itaconate 2020-03-11
EP-3677244-A2 Compositions comprising multilamellar vesicles 2020-02-04
EP-3842469-A1 Material for forming organic film, method for forming organic film, patterning process, and compound 2019-12-26
EP-3842109-A1 Antifoam and defoamer product 2019-12-23
EP-3842110-A1 Foam destabilizers 2019-12-23
US-2021189379-A1 Methods and systems and related compositions for mixtures separation with a solid matrix 2019-12-23
US-2021188800-A1 Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same 2019-12-20

Literatures

PMID Publication Date Title Journal
29953848 2018-08-25 Mechanistic-based non-animal assessment of eye toxicity: Inflammatory profile of human keratinocytes cells after exposure to eye damage/irritant agents Chemico-biological interactions
28188220 2017-03-15 Cannabinoids Activate Monoaminergic Signaling to Modulate Key C. elegans Behaviors The Journal of neuroscience : the official journal of the Society for Neuroscience
22960319 2012-11-15 Flux of ionic dyes across microneedle-treated skin: effect of molecular characteristics International journal of pharmaceutics
23021646 2012-11-02 Agarose film liquid phase microextraction combined with gas chromatography-mass spectrometry for the determination of polycyclic aromatic hydrocarbons in water Journal of chromatography. A
23084055 2012-11-02 Emulsification liquid phase microextraction followed by on-line phase separation coupled to high performance liquid chromatography Analytica chimica acta
22927031 2012-11-01 Interindividual variation in transdermal and oral drug deliveries Journal of pharmaceutical sciences
22940209 2012-11-01 Novel codrugs with GABAergic activity for dopamine delivery in the brain International journal of pharmaceutics
22945558 2012-11-01 Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase Analytical and bioanalytical chemistry
23122403 2012-11-01 Determination of non-steroidal anti-inflammatory drugs in urine by hollow-fiber liquid membrane-protected solid-phase microextraction based on sol-gel fiber coating Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
23016629 2012-10-23 Lateral dynamics of surfactants at the free water surface: a computer simulation study Langmuir : the ACS journal of surfaces and colloids
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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