2-Phenylethanethiol

Base Information Edit

Chemical Name:2-Phenylethanethiol
CAS No.:4410-99-5
Molecular Formula:C8H10 S
Molecular Weight:138.233
Hs Code.:29309090
European Community (EC) Number:224-563-9
NSC Number:2616
UNII:I4TH2T2INY
DSSTox Substance ID:DTXSID60196039
Nikkaji Number:J205.789A
Wikidata:Q27280442
Metabolomics Workbench ID:45671
Mol file:4410-99-5.mol

Synonyms:2-Phenylethanethiol;4410-99-5;Phenethyl mercaptan;Benzeneethanethiol;2-Phenylethyl mercaptan;Phenylethyl mercaptan;2-phenylethylthiol;2-phenylethylmercaptan;2-phenylethane-1-thiol;2-phenyl-ethanethiol;beta-Phenylethyl mercaptan;UNII-I4TH2T2INY;I4TH2T2INY;.beta.-Phenylethyl mercaptan;NSC-2616;EINECS 224-563-9;MFCD00004891;2-phenyl-1-ethanethiol;Phenylethylthiol;phenethylmercaptan;Phenylethylmercaptan;2-phenethylmercaptan;PHENETHYLTHIOL;b-Phenylethylmercaptan;2-Phenethyl mercaptan;Benzeneethanethiol, 9CI;1-Mercapto-2-phenylethane;2-Phenylethanethiol, 98%;SCHEMBL1712;ETHANETHIOL, 2-PHENYL-;FEMA NO. 3894;FEMA 3894;DTXSID60196039;NSC2616;1-PHENYL-2-MERCAPTOETHANE;PHENYLETHYL MERCAPTAN, 2-;PHENETHYL MERCAPTAN [FHFI];NSC 2616;Phenylethyl mercaptan, >=99%, FG;AC9387;AKOS000169423;AS-57152;SY039368;FT-0653488;P1715;EN300-221555;J-640282;J-800281;Q27280442

Suppliers and Price of 2-Phenylethanethiol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2-Phenylethanethiol
100mg
$ 60.00

TCI Chemical
2-Phenylethanethiol >97.0%(GC)(T)
25g
$ 164.00

TCI Chemical
2-Phenylethanethiol >97.0%(GC)(T)
5g
$ 56.00

Sigma-Aldrich
Phenylethyl mercaptan ≥99%, FG
1kg
$ 1910.00

Sigma-Aldrich
Phenylethyl mercaptan ≥99%, FG
100g
$ 222.00

Sigma-Aldrich
Phenylethyl mercaptan ≥99%, FG
sample
$ 40.00

Sigma-Aldrich
2-Phenylethanethiol 98%
10g
$ 96.10

Sigma-Aldrich
Phenylethyl mercaptan ≥99%, FG
25g
$ 69.10

Apolloscientific
Phenethylmercaptan 99%
25g
$ 66.00

Apolloscientific
Phenethylmercaptan 99%
100g
$ 160.00

Total 90 raw suppliers

Chemical Property of 2-Phenylethanethiol Edit

Chemical Property:

Appearance/Colour:colourless liquid
Vapor Pressure:0.238mmHg at 25°C
Melting Point:-30°C (estimate)
Refractive Index:n20/D 1.560(lit.)
Boiling Point:213.5°Cat760mmHg
PKA:10.40±0.10(Predicted)
Flash Point:90 ºC
PSA：38.80000
Density:1.032
LogP:2.15890
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:138.05032149
Heavy Atom Count:9
Complexity:65

Purity/Quality:

99% ^*data from raw suppliers

2-Phenylethanethiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 23-24/25-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCS
Chemical Composition and Structure 2-Phenylethanethiol consists of a phenyl group attached to an ethanethiol functional group.
Sources Found naturally in Mephitis mephitis (skunk).
Uses and Mechanism of Action Olfactory Response:
2-Phenylethanethiol activates human olfactory receptors, influencing odor perception. Capable of adsorbing on human olfactory receptors OR1A1 and OR2W1.^[1]
Catalytic Activity:
Participates in catalytic conversion reactions, such as the oxidation of toluene to benzaldehyde.^[2][3]
Other Uses:
2-Phenylethanethiol can form complexes with transition metal ions such as copper. It is used as a ligand to protect Ni6 nanocluster for catalytic conversion reactions.^[4]
References [1] Adsorption of 2-phenylethanethiol on two broadly tuned human olfactory receptors OR1A1 and OR2W1: Interpretation of the effect of copper ions via statistical physics monolayer adsorption model
DOI 10.1016/j.molliq.2021.116926
[2] A hexagonal Ni6 cluster protected by 2-phenylethanethiol for catalytic conversion of toluene to benzaldehyde
DOI 10.1039/C9CP02964H
[3] Thiols as Hydrogen Bond Acceptors and Donors: Spectroscopy of 2-Phenylethanethiol Complexes
DOI 10.1021/acs.jpca.8b06649
[4] Synthesis and study of the quantum-confinement effect of gold-nanoclusters via optical properties protected by 2-phenylethanethiol ligand
DOI 10.1016/j.cplett.2022.140206

Technology Process of 2-Phenylethanethiol

There total 41 articles about 2-Phenylethanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 35065-97-5
S-2-phenylethyl thioacetate

: 4410-99-5
2-mercaptophenylethane

Guidance literature:: With methanol; tetra-n-butylammonium cyanide; In chloroform; at 20 ℃; for 3h;
DOI:10.1016/j.tet.2005.09.092

Reference yield: 90.0%

: (1-(5-isopropyl-3,8-dimethylazulene-1-yl)ethyl)(phenethyl)sulfane

: 4410-99-5
2-mercaptophenylethane

Guidance literature:: With tris-(2-carboxyethyl)-phosphine hydrochloride; In methanol; at 20 ℃; for 12h;
DOI:10.1016/j.tet.2021.131998

Reference yield: 90.0%

: 25558-00-3
3-Propinyl-2'-phenylethylsulfid

: 4410-99-5
2-mercaptophenylethane

Guidance literature:: With rubidium hydroxide; 2,6-di-tert-butyl-4-methyl-phenol; 1-hydroxy-4-isothiocyano-2,2,6,6-tetramethylpiperidine; In dimethyl sulfoxide; for 20h; Irradiation;