Melt Flow Rate(PP) - Flow rate: 19.11g/10min , CAS No.9003-07-0

CAS: 9003-07-0 Cat. No.: M1522880 Formula: [CH₂CH(CH₃)]_n EC Number: 618-352-4

GRADE & PURITY Flow rate: 19.11g/10min

Synonyms

12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid | 12-(3-Octyl-2-oxiranyl)dodecanoic acid | 2-Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel- | N-Fmoc-5-aminolevulinicacid | cis-13,14-Epoxydocosanoic acid | NSYDMBURIUSUDH-RTWAWAEBSA-N | Oxiranedodecanoic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid | 12-(3-Octyl-2-oxiranyl)dodecanoic acid | 2-Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel- | N-Fmoc-5-aminolevulinicacid | cis-13,14-Epoxydocosanoic acid | NSYDMBURIUSUDH-RTWAWAEBSA-N | Oxiranedodecanoic aci

Specifications & Purity

Flow rate: 19.11g/10min

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Canonical Smiles

CCCCCCCCC1C(O1)CCCCCCCCCCCC(=O)O

IUPAC Name

12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid

InChIKey

NSYDMBURIUSUDH-RTWAWAEBSA-N

INCHI

1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m1/s1

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O

Reaxy-Rn

87459

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87459&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Epoxy fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Long-chain fatty acid - Epoxy fatty acid - Heterocyclic fatty acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

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

• Molecular Weight: 354.600 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 354.313 Da
• Monoisotopic Mass: 354.313 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 9003-07-0. InChIKey NSYDMBURIUSUDH-RTWAWAEBSA-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.