Benzyl Alcohol
Product Information
Molecular Formula
C7H8O
Molecular Weight
108.14
Description
Benzyl Alcohol is used as a solvent and as an intermediate.
Synonyms
Benzenemethanol; (Hydroxymethyl)benzene; Benzenecarbinol; Benzylic alcohol; GTA 220; NSC 8044; Phenylcarbinol; Phenylmethyl alcohol; Sunmorl BK 20; TB 13G; α-Hydroxytoluene; α-Toluenol
IUPAC Name
phenylmethanol
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
205.3 °C
Melting Point
-15.2 °C
Flash Point
213.8 °F - DIN 51758
Purity
99.8%
Density
1.0419 g/cm3
Solubility
Soluble in Chloroform, Methanol (Slightly)
Appearance
Colorless transparent sticky liquid
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
Store at RT
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
Related CAS
22379-62-0 (potassium salt) 20194-18-7 (sodium salt) 15082-42-5 (lithium salt) 2092-14-0 (aluminum salt)
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 |
