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1-Tetradecanethiol

1-Tetradecanethiol structure

CAS No:
2079-95-0
Formula:
C14H30S
Chemical Name:
1-Tetradecanethiol
Synonyms:
1-Tetradecanethiol;Tetradecyl mercaptan;1-Mercaptotetradecane;Myristyl mercaptan;n-Tetradecylmercaptan;NSC 57865;n-Tetradecyl thiolate;1-Tetradecylthiol;902459-03-4
Categories:
Chemical Reagents > Organic Reagents

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Description

Colorless liquid

1-Tetradecanethiol Basic Attributes

Molecular Weight：

230.45

Exact Mass：

230.45

BRN：

1742653

EC Number：

218-209-2

UNII：

APY3P7S1XM

NSC Number：

57865

DSSTox ID：

DTXSID7062166

HScode：

2930909090

Characteristics

PSA：

XLogP3：

7.62

Density：

0.8484 g/cm³

Melting Point：

89-90 °C @ Solvent: Dichloromethane

Boiling Point：

176-180 °C

Flash Point：

176-180°C/22mm

Refractive Index：

1.459

Vapor Pressure：

0.00135mmHg at 25°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

41-43

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H317-H318

GHS Classification：

|Danger|H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Tetradecanethiol Use and Manufacturing

Manufacturing Info：

1-Tetradecanethiol: ACTIVE

Computed Properties

Molecular Weight:230.46
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:12
Exact Mass:230.20682213
Monoisotopic Mass:230.20682213
Topological Polar Surface Area:1
Heavy Atom Count:15
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2079-95-0

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