Methyl tetracosanoate
Basic information
- CAS
2442-49-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC- InChIKey
XUDJZDNUVZHSKZ-UHFFFAOYSA-N- Molecular formula
- C25H50O2
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.38108083
Overview
Methyl tetracosanoate is a fatty acid methyl ester.
Names & identifiers
- Preferred name
- Methyl tetracosanoate
- IUPAC
- methyl tetracosanoate
- English name
- Lignoceric acid methyl ester
- Molecular formula
- C25H50O2
- Molecular weight
- 382.66
Names & synonyms
Methyl tetracosanoate2442-49-1Tetracosanoic acid, methyl esterMethyl tetracosanoic acidTetracosanoic Acid Methyl EsterHY5564B8FXDTXSID50179174RefChem:818084DTXCID80101665219-475-2Methyl lignocerateLignoceric acid methyl ester
Show more names
C24TetracosanoicC24:0 METHYL ESTERMethyltetracosanoatMethylLignocerate>TETRACOSANOIC METHYLLIGNOCERIC METHYL ESTER
LIGNOCERICACIDMETHYLESTERMFCD00009351Tetracosanoic acid-methyl esterC24 FAMESCHEMBL863540Methyl tetracosanoate (Standard)CHEBI:143590AKOS015903349
Database identifiers
- CAS
2442-49-1- PubChem CID
- 75546
- DTXSID
DTXSID50179174- ChEBI
CHEBI:143590- UNII
- HY5564B8FX
- EC Number
- 219-475-2
- Nikkaji
- J45.244K
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Collision Cross Section187.54 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 58 · 58-60 °C(lit.)
- Boiling point
- 232 °C4 · 232 °C4 mm Hg(lit.)
- Density
- 0.8791 · 0.8791 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- White to Off-White
- biological source
- synthetic (organic)
- BRN
- 1797895 · 1797895
- InChI
- 1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
- InChIKey
- XUDJZDNUVZHSKZ-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.
Danger
H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationTetracosanoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (16.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- hs_code
- 2915.90.5050
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
DescriptionLignoceric acid methyl ester is an esterified form of lignoceric acid . It has been found in biodiesel produced from several types of animal fat.
UsesMethyl tetracosanoate may be used as an external standard to study the pentafluorobenzylation reaction of estradiol in a biphasic methylene chloride/sodium hydroxide system and in the absence of phase transfer agents by gas chromatography technique (GC).Methyl tetracosanoate may be used as an analytical reference standard for the determination of the analyte in biodiesel produced from yellow horn oil using high-performance liquid chromatography technique.
UsesIntermediate in special synthesis, biochemicalresearch, reference standard in gas chromatography.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionThemethyl ester of lignoceric acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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