Methyl 11-methyldodecanoate
Basic information
- CAS
5129-57-7- Standard SMILES
COC(=O)CCCCCCCCCC(C)C- InChIKey
GSRXTORWPQDOOY-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Methyl 11-methyldodecanoate
- IUPAC
- methyl 11-methyldodecanoate
- English name
- Methyl 11-methyldodecanoate
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
Methyl 11-methyldodecanoate5129-57-7DTXSID70398946RefChem:1089260DTXCID00349805METHYL11-METHYLDODECANOATEMethyl 11-methyl-dodecanoate11-methyl Lauric Acid methyl esterorb2939714SCHEMBL17506460GSRXTORWPQDOOY-UHFFFAOYSA-NMFCD00083437
Show more names
ISO C13 METHYL ESTERISO-TRIDECANOIC METHYL ESTER11-METHYLLAURIC ACID METHYL ESTER11-Methyldodecanoic acid methyl esterDodecanoic acid, 11-methyl-, methyl ester
TYD-00877PD078153HY-124433CS-0086460Methyl 11-methyldodecanoate, >=98% (capillary GC)Q63393673
Database identifiers
- CAS
5129-57-7- PubChem CID
- 4065233
- DTXSID
DTXSID70398946- Nikkaji
- J47.519J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 265.4 · 265.4±8.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Ethyl ether: soluble; Hexane: soluble; Methylene chloride: soluble
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H361-H336-H373-H304-H411
- Precautionary statements
- 201 · P201-P202-P210-P240-P241-P242-P243-P260-P264-P271-P273-P280-P301+P310-P321-P331-P303+P361+P353-P304+P340-P308+P313-P312-P314-P362+P364-P332+P313-P370+P378-P391-P403+P233-P403+P235-P405-P501
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- Hazard statements
- H225-H315-H361-H336-H373-H304-H411
- Precautionary statements
- P201-P202-P210-P240-P241-P242-P243-P260-P264-P271-P273-P280-P301+P310-P321-P331-P303+P361+P353-P304+P340-P308+P313-P312-P314-P362+P364-P332+P313-P370+P378-P391-P403+P233-P403+P235-P405-P501
Chemistry & industry
Applications
UsesMethyl 11-Methyldodecanoate is a methylated fatty acid methyl ester that has been used as a standard for the quantitative analysis of 11-methyl lauric acid in vernix and M. oleifera extracts.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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