structure of 1-Tert-butoxybutane

1-Tert-butoxybutane

CAS No.: 1000-63-1
M. Wt: 130.22800
M. Fa: C8H18O
InChI Key: JJNQHLLBFBGKEL-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 1-Tert-butoxybutane

CAS Number

1000-63-1

IUPAC Name

1-[(2-methylpropan-2-yl)oxy]butane

InChI

InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3

InChIKey

JJNQHLLBFBGKEL-UHFFFAOYSA-N

Canonical SMILES

CCCCOC(C)(C)C

Physical and chemical properties of 1-Tert-butoxybutane

Boiling Point

126.1ºC at 760mmHg

Density

0.779g/cm3

Exact Mass

130.13600

Flash Point

19ºC

Index of Refraction

1.403

LogP

2.60160

Melting Point

-94 °C

Molecular Formula

C8H18O

Molecular Weight

130.22800

PSA

9.23000

Vapour Pressure

14.4mmHg at 25°C

Retrosynthesis analysis of 1-Tert-butoxybutane

  • Route#1

    Cas:71-36-3
    Cas:75-65-0
    Cas:1000-63-1

  • Route#2

    Cas:109-65-9
    Cas:865-47-4
    Cas:1000-63-1

  • Route#3

    Cas:542-69-8
    Cas:865-48-5
    Cas:1000-63-1