structure of 2-Propyl-1-heptanol

2-Propyl-1-heptanol

CAS No.: 10042-59-8
M. Wt: 158.281
M. Fa: C10H22O
InChI Key: YLQLIQIAXYRMDL-UHFFFAOYSA-N
Appearance: Colorless Liquid

Names and Identifiers of 2-Propyl-1-heptanol

CAS Number

10042-59-8

EC Number

233-126-1

MDL Number

MFCD00046768

IUPAC Name

2-propylheptan-1-ol

InChI

InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3

InChIKey

YLQLIQIAXYRMDL-UHFFFAOYSA-N

Canonical SMILES

CCCCCC(CCC)CO

UNII

ROZ1V94YZK

UNSPSC Code

12352100

Physical and chemical properties of 2-Propyl-1-heptanol

Acidity coefficient

15.09±0.10(Predicted)

Boiling Point

217.5±0.0 °C at 760 mmHg

Density

0.8±0.1 g/cm3

Exact Mass

158.167068

Flash Point

87.1±6.5 °C

Index of Refraction

1.434

LogP

3.88

Melting Point

-1.53°C (estimate)

Molecular Formula

C10H22O

Molecular Weight

158.281

PSA

20.23000

Solubility

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Storage condition

Sealed in dry,Room Temperature

Vapour Pressure

0.0±0.9 mmHg at 25°C

Water Solubility

Insoluble in water. Miscible with most common organic solvents.

Safety Information of 2-Propyl-1-heptanol

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Physical sample testing spectrum (NMR) of 2-Propyl-1-heptanol

Physical sample testing spectrum (NMR) of 2-Propyl-1-heptanol

Retrosynthesis analysis of 2-Propyl-1-heptanol

  • Route#1

    Cas:1941-84-0
    Cas:71-41-0
    Cas:10042-59-8
  • Route#2

    Cas:71-41-0
    Cas:10042-59-8
  • Route#3

    Cas:71-36-3
    Cas:10042-59-8