Benzyl Alcohol

Product Information

Molecular Formula:
C7H8O
Molecular Weight:
108.14
Description
Benzyl Alcohol is used as a solvent and as an intermediate.
Synonyms
α-Toluenol
IUPAC Name
phenylmethanol
Canonical SMILES
C1=CC=C(C=C1)CO
InChI
InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key
WVDDGKGOMKODPV-UHFFFAOYSA-N
Boiling Point
203-205 °C (lit.)
Melting Point
−16-−13 °C (lit.)
Flash Point
213.8 °F - DIN 51758
Purity
99.8%
Density
1.045 g/mL at 25 °C (lit.)
Solubility
Soluble in chloroform, methanol (slightly).
Appearance
Clear Colourless Oil
Application
Used as a preservative, epoxy resin catalyst, and in the photographic developer C-22; Used as a preservative, solvent, and local anesthetic; Used as a preservative in drugs for injection; Used in flavors and perfumes and as a solvent for inks and dyes.
Storage
Room Temperature
Refractive Index
n20/D 1.539 (lit.)
Stability
Oxidizes slowly, therefore remains stable for long time
LogP
1.17890
Vapor Pressure
13.3 mm Hg ( 100 °C)
Henry's Law Constant
3.37X10-7 atm-cu m/mole at 25 °C
Decomposition
When heated to decomposition it emits acrid smoke and fumes.
Dissociation Constants
15.4
Odor
Faint aromatic odor

Safety Information

Hazards
H302 + H332 - H319
Precautionary Statement
P301 + P312 + P330 - P304 + P340 + P312 - P305 + P351 + P338

Computed Properties

XLogP3
1.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
108.057514874 g/mol
Monoisotopic Mass
108.057514874 g/mol
Topological Polar Surface Area
20.2Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
55.4
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
EP-3818972-A2 Piroctone olamine granules for use in cosmetic compositions 2021-01-29
US-11028172-B1 Anti-TIGIT antibodies and uses thereof 2020-11-10
US-10912753-B1 Topical skin care composition 2020-10-20
US-10975102-B1 Heterocyclic diazenyl pyridinone copper(II) complexes as pharmacological antitumor agents 2020-09-21
US-11033516-B1 Combination therapies with disulfiram 2020-09-18
US-11028174-B1 Bifunctional molecules targeting PD-L1 and TGF-β 2020-07-28
US-10973760-B1 Instantly dissolving buccal films 2020-07-21
US-11020349-B1 Transmucosal dosage forms of remdesivir 2020-07-14
US-10882852-B1 3-vinylquinolines as cancer cells inhibitors 2020-07-09
US-11020474-B1 Producing recombinant SARS-CoV-2 spike protein in a pre-fusion state 2020-06-25

Literatures

PMID Publication Date Title Journal
33358762 2021-03-01 The EyeIRR-IS assay: Development and evaluation of an in vitro assay to measure the eye irritation sub-categorization of liquid chemicals Toxicology in vitro : an international journal published in association with BIBRA
29975450 2018-08-01 Intermolecular amination of allylic and benzylic alcohols leads to effective inhibitions of acetylcholinesterase enzyme and carbonic anhydrase I and II isoenzymes Journal of biochemical and molecular toxicology
26663444 2016-09-01 Sulfation of benzyl alcohol by the human cytosolic sulfotransferases (SULTs): a systematic analysis Journal of applied toxicology : JAT
23623256 2013-06-01 Synthesis and carbonic anhydrase inhibitory properties of sulfamides structurally related to dopamine Bioorganic & medicinal chemistry
22906572 2013-02-01 Chemicals inducing acute irritant contact dermatitis mobilize intracellular calcium in human keratinocytes Toxicology in vitro : an international journal published in association with BIBRA
22999809 2012-12-01 Floral scent in bird- and beetle-pollinated Protea species (Proteaceae): chemistry, emission rates and function Phytochemistry
23040977 2012-11-09 Impact of mobile phase composition on the performance of porous polymeric monoliths in the elution of small molecules Journal of chromatography. A
22968676 2012-11-07 Synthesis of cyclic polylactide catalysed by bis(salicylaldiminato)tin(II) complexes Dalton transactions (Cambridge, England : 2003)
23066933 2012-11-02 Stereochemical requirements of oxidative cyclizations in extended iterative organoiron-mediated routes to alkaloids The Journal of organic chemistry
22922108 2012-11-01 Loss of membrane fluidity and endocytosis inhibition are involved in rapid aluminum-induced root growth cessation in Arabidopsis thaliana Plant physiology and biochemistry : PPB
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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