ChemicalBook--->CAS DataBase List--->2079-95-0

2079-95-0

2079-95-0 Structure

2079-95-0 Structure
IdentificationMore
[Name]

1-Tetradecanethiol
[CAS]

2079-95-0
[Synonyms]

1-TETRADECANETHIOL
MYRISTYL MERCAPTAN
N-TETRADECYL MERCAPTAN
TETRADECANE THIOL
TETRADECYLMERCAPTAN
1-Mercaptotetradecane
n-tetradecanethiol
Tetradecanethiol-(1)
tetradecanethiol(non-specificname)
tetradecanethiolnormal
Myristyl mercaptan~1-Tetradecanethiol
tetradecane-1-thiol
Tetradecan-1-thiol
[EINECS(EC#)]

218-209-2
[Molecular Formula]

C14H30S
[MDL Number]

MFCD00022099
[Molecular Weight]

230.45
[MOL File]

2079-95-0.mol
Questions And AnswerBack Directory
[Synthesis]

Sodium monoalkyl sulfate replaces haloalkanes in the reaction with sodium hydrosulfide to prepare 1-Tetradecanethiol. The thiolation of straight-chain alkyl sulfates is generally considered a nucleophilic substitution reaction at the α-position. The nucleophile hydrosulfate ion attacks the α-carbon atom from the back of the leaving group sulfate ion. Due to the electron-donating effect of the leaving group, the α-carbon atom has weak electrophilicity, and the reaction proceeds via an SN 2 mechanism. The reaction mechanism for the synthesis of 1-Tetradecanethiol is shown in the figure below:

Synthesis of 2079-95-0

Chemical PropertiesBack Directory
[Melting point ]

6-7°C
[Boiling point ]

176-180°C 22mm
[density ]

0.846 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.461
[Fp ]

176-180°C/22mm
[form ]

clear liquid
[pka]

10.49±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Sensitive ]

Air Sensitive
[BRN ]

1742653
[InChI]

InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
[InChIKey]

GEKDEMKPCKTKEC-UHFFFAOYSA-N
[SMILES]

C(S)CCCCCCCCCCCCC
[LogP]

7.555 (est)
[CAS DataBase Reference]

2079-95-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Tetradecanethiol(2079-95-0)
[EPA Substance Registry System]

2079-95-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[F ]

9-13-23
[TSCA ]

Yes
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

TDT is used as a self-assembled monolayer (SAM) on gold nanoparticle(AuNP) based electrodes for bi-enzymer glucose biosensors. The surface modification was done by soaking the electrodes in TDT solution.
[General Description]

1-Tetradecanethiol (TDT) is an alkanethiol used as a self-assembled monolayer (SAM) which may be used to functionalize a variety of nanoparticles. It is a hydrophobic ligand. It is highly oriented and acts as a hole-injection barrier on the nanoparticle surface.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Tetradecanethiol(2079-95-0)MS
1-Tetradecanethiol(2079-95-0)1HNMR
1-Tetradecanethiol(2079-95-0)13CNMR
1-Tetradecanethiol(2079-95-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Tetradecanethiol, 94%(2079-95-0)
[Sigma Aldrich]

2079-95-0(sigmaaldrich)
[TCI AMERICA]

1-Tetradecanethiol,>97.0%(GC)(2079-95-0)
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