N-DODECYLMERCAPTAN CAS 112-55-0

1-Dodecanethiol Basic information

Product Name:

1-Dodecanethiol

CAS:

112-55-0

MF:

C12H26S

MW:

202.4

EINECS:

203-984-1

Mol File:

112-55-0.mol

1-Dodecanethiol Chemical Properties

Melting point

-7 °C

Boiling point

266-283 °C(lit.)

density

0.845 g/mL at 25 °C(lit.)

vapor density

7 (vs air)

vapor pressure

0.002 hPa (20 °C)

refractive index

n20/D 1.459(lit.)

FEMA

4581 | DODECANETHIOL

Fp

>230 °F

storage temp.

Store below +30°C.

solubility

Chloroform (Sparingly), Methanol (Slightly)

pka

10.49±0.10(Predicted)

form

Liquid

color

Clear

Odor

Stench

Odor Type

sulfurous

Water Solubility

IMMISCIBLE

λmax

205nm(lit.)

Sensitive

Air Sensitive

JECFA Number

1924

BRN

969337

Henry's Law Constant

5.3×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)

Exposure limits

ACGIH: TWA 0.1 ppm

NIOSH: Ceiling 0.5 ppm(4.1 mg/m3)

Stability:

Air Sensitive

InChI

1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

InChIKey

WNAHIZMDSQCWRP-UHFFFAOYSA-N

SMILES

CCCCCCCCCCCCS

LogP

6.18

CAS DataBase Reference

112-55-0(CAS DataBase Reference)

NIST Chemistry Reference

1-Dodecanethiol(112-55-0)

EPA Substance Registry System

Dodecyl mercaptan (112-55-0)

Product Name:

1-Dodecanethiol

Specifications & Purity:

98%

Parameter

Limit Values

Density (20°C)

0.845-0.847

Refractive index n20/D

1.458-1.46

Purity(GC)

98-100 (%）

Appearance(D105610)

Colorless Liquid

Infrared spectrum

Conforms to Structure

Proton NMR spectrum

Conforms to Structure