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
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 |
