Methyl 12-methyltridecanoate
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Basic information
- CAS
5129-58-8- Standard SMILES
COC(=O)CCCCCCCCCCC(C)C- InChIKey
FLESKWMKPOBWDE-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Methyl 12-methyltridecanoate
- IUPAC
- methyl 12-methyltridecanoate
- English name
- METHYL 12-METHYLTRIDECANOATE
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Methyl 12-methyltridecanoate5129-58-8Methyl isomyristateTridecanoic acid, 12-methyl-, methyl esterB508508OUJMETHYL ISOTETRADECANOATEDTXSID20199288RefChem:812785DTXCID5012177912-methyl Tridecanoic Acid methyl esterUNII-B508508OUJMETHYL12-METHYLTRIDECANOATE
Show more names
ISO C14 METHYL ESTERMethyl 12-methyltrifdecanoateISO-TETRADECANOIC METHYL ESTERMethyl isotetradecanoate (iso-14:0)12-METHYLTRIDECANOIC ACID METHYL ESTER12-Methyltridecanoic acid methyl ester, Methyl isomyristate
orb2278157SCHEMBL1369741FLESKWMKPOBWDE-UHFFFAOYSA-NMFCD00083436DA-49085PD077347HY-153936CS-0867511
Database identifiers
- CAS
5129-58-8- PubChem CID
- 21204
- DTXSID
DTXSID20199288- UNII
- B508508OUJ
- EC Number
- 680-575-8
- Nikkaji
- J47.547E
Properties
Computed structural propertiesFilling in
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 281.3 · 281.3±8.0 °C(Predicted)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform: soluble; Ethanol: soluble; Ether: soluble
- form
- Liquid
- FDA UNII
- 508508 OUJ · B508508OUJ
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
UsesMethyl 12-methyltridecanoate ((R)-betaxolol hydrochloride) is a biosurfactant extracted from Brevibacterium casei LS14.Methyl 12-methyltridecanoate provides a novel approach for functionalizing the silver nanoparticles higher biocompatibility in vivo environmental[1].
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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