Methyl Lactate - ≥98%(GC) , CAS No.547-64-8

CAS: 547-64-8 Cat. No.: M158854 Formula: C₄H₈O₃ Molecular Weight: 104.11 EC Number: 208-930-0

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-181677 | Methyl L-lactate;(S)-Methyl lactate | AKOS009156958 | NCGC00248621-01 | (+-)-Methyl lactate | (+/-)-METHYL 2-HYDROXYPROPANOATE | F81520 | Lactic acid, methyl ester, (.+/-.)- | Propanoic acid, 2-hydroxy-, methyl ester, (R)- | racemic methyl

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

EN300-181677 | Methyl L-lactate;(S)-Methyl lactate | AKOS009156958 | NCGC00248621-01 | (+-)-Methyl lactate | (+/-)-METHYL 2-HYDROXYPROPANOATE | F81520 | Lactic acid, methyl ester, (.+/-.)- | Propanoic acid, 2-hydroxy-, methyl ester, (R)- | racemic methyl

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504752054

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752054

Canonical Smiles

CC(C(=O)OC)O

IUPAC Name

methyl 2-hydroxypropanoate

InChIKey

LPEKGGXMPWTOCB-UHFFFAOYSA-N

INCHI

1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3

Isomeric SMILES

CC(C(=O)OC)O

WGK Germany

1

RTECS

OD5670000

UN Number

3272

Packing Group

III

Molecular Weight

104.11

Reaxy-Rn

1720586

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• External Descriptors: a small molecule

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

• Solubility: Decomposes in water.
• Sensitivity: Moisture sensitive
• Refractive Index: 1.413
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 54°C
• Boil Point(°C): 144°C
• Molecular Weight: 104.100 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 547-64-8, the molecular formula is C4H8O3, and the molecular weight is 104.11 g/mol. InChIKey LPEKGGXMPWTOCB-UHFFFAOYSA-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.