structure of 9-Hexadecenoic acid

9-Hexadecenoic acid

CAS No.: 10030-73-6
M. Wt: 254.408
M. Fa: C16H30O2
InChI Key: SECPZKHBENQXJG-BQYQJAHWSA-N
Appearance: White Solid

Names and Identifiers of 10030-73-6

CAS Number

10030-73-6

EC Number

606-666-4

MDL Number

MFCD00067230

IUPAC Name

(E)-hexadec-9-enoic acid

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+

InChIKey

SECPZKHBENQXJG-BQYQJAHWSA-N

Canonical SMILES

CCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)O

UNII

65DJ825A3Z

UNSPSC Code

12352100

Physical and chemical properties of 10030-73-6

Acidity coefficient

4.78±0.10(Predicted)

Boiling Point

363.00 to 364.00 °C. @ 760.00 mm Hg (est)

Density

0.9±0.1 g/cm3

Exact Mass

254.224579

Flash Point

239.2±14.4 °C

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.466

LogP

6.635 (est)

Melting Point

33-34℃

Molecular Formula

C16H30O2

Molecular Weight

254.408

PSA

37.30000

Solubility

0.1334 mg/L @ 25 °C (est)

Storage condition

-20°C

Vapour Pressure

0.0±1.7 mmHg at 25°C

Safety Information of 10030-73-6

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Biological Activity of 10030-73-6

Palmitelaidic acid has been studied for its impact on human health. It is known to influence lipid metabolism and has been associated with changes in plasma lipids and lipoprotein profiles. Increased serum levels of palmitelaidic acid have been linked to higher levels of low-density lipoprotein cholesterol while showing lower levels of triglycerides and fasting insulin. Its role in cardiovascular health remains under investigation, particularly concerning its effects compared to other fatty acids.

Physical sample testing spectrum (NMR) of 10030-73-6

Physical sample testing spectrum (NMR) of 10030-73-6

Retrosynthesis analysis of 10030-73-6

  • Route#1

    Cas:112-80-1
    Cas:10030-73-6
  • Route#2

    Cas:57-11-4
    Cas:10030-73-6