CAS 141-59-3 tert-Octanethiol - Materials / Alfa Chemistry

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tert-Octanethiol

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Catalog Number

ACM141593

Product Name

tert-Octanethiol

Structure

CAS

141-59-3

Category

Self Assembly and Contact Printing Materials

Description

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

IUPAC Name

2,4,4-trimethylpentane-2-thiol

Molecular Weight

146.3g/mol

Molecular Formula

C8H18S;(CH3)2CSHCH2C(CH3)3;C8H18S

Canonical SMILES

CC(C)(C)CC(C)(C)S

InChI

InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3

InChI Key

QZLAEIZEPJAELS-UHFFFAOYSA-N

Boiling Point

160.0 °C;154-166 °C;155 °C

Melting Point

-74.0 °C;-74 °C

Flash Point

115 °F (46 °C) (Open cup);46 °C o.c.

Density

0.848 at 15.5 °C;Relative density (water = 1): 0.85

Solubility

In water, 31 mg/L at 25 °C (est);Solubility in water: none

Color/Form

Colorless liquid

Complexity

87.2

Covalently-Bonded Unit Count

EC Number

205-490-1

Exact Mass

146.112922g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1494

Log P

log Kow = 4.0 (est)

Monoisotopic Mass

146.112922g/mol

Other Experimental

Liquid molar volume = 0.173885 cu m/kmol;Henry's Law constant = 1.9X10-2 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.5X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction = 1.454 at 20 °C/D

Rotatable Bond Count

RTECS Number

SA3260000

UNII

K908VW4U2S

UN Number

2929;3023

Vapor Density

5.0 (Air = 1);Relative vapor density (air = 1): 5.0

Vapor Pressure