Methyl palmitoleate - ≥99%(GC), liquid , CAS No.1120-25-8

CAS: 1120-25-8 Cat. No.: M465611 Formula: C₁₇H₃₂O₂ Molecular Weight: 268.43 Beilstein Registry Number: 1726110 EC Number: 214-303-2

GRADE & PURITY ≥99%(GC), liquid

Synonyms

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Specifications

Synonyms

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

Specifications & Purity

≥99%(GC), liquid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504759752
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759752
• Canonical Smiles: CCCCCCC=CCCCCCCCC(=O)OC
• IUPAC Name: methyl (Z)-hexadec-9-enoate
• InChIKey: IZFGRAGOVZCUFB-HJWRWDBZSA-N
• INCHI: 1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
• Isomeric SMILES: CCCCCC/C=C\CCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 268.43
• Beilstein: 1726110
• Reaxy-Rn: 9565700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9565700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Wax monoesters

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• x_refractive_index: 1.451
• x_flash_point_drop_fahrenheit: 235.4 °F
• x_flash_point_drop_centigrade: 113 °C
• x_boil_point_char: 180-183 °C/1 mmHg
• x_melt_point_char: -0.5-0.5°C
• Molecular Weight: 268.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 268.24 Da
• Monoisotopic Mass: 268.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1120-25-8, the molecular formula is C17H32O2, and the molecular weight is 268.43 g/mol. InChIKey IZFGRAGOVZCUFB-HJWRWDBZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.