Methyl 14-methylhexadecanoate
Basic information
- CAS
2490-49-5- Standard SMILES
CCC(C)CCCCCCCCCCCCC(=O)OC- InChIKey
AOAFVSVYRSUDBN-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
Methyl 14-methyl-8-hexadecenoate is a fatty acid methyl ester.
Names & identifiers
- Preferred name
- Methyl 14-methylhexadecanoate
- IUPAC
- methyl 14-methylhexadecanoate
- English name
- Methyl 14-methylhexadecanoate
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Methyl 14-methylhexadecanoate2490-49-5DTXSID001016325RefChem:1089264DTXCID701474489Hexadecanoic acid, 14-methyl-, methyl esterMethyl 14-methyl-8-hexadecenoate14-methyl Palmitic Acid methyl esterWE(1:0/16:1(8)(14Me))METHYL14-METHYLHEXADECANOATESCHEMBL891693methyl 14-methylhexa-decanoate
Show more names
ANTEISO C17 METHYL ESTERMethyl 14-methylpalmitatemethyl 14-methylheptadecanoateANTEISO-HEPTADECANOIC METHYL ESTER14-Methylpalmitic acid methyl ester14-methylhexadecanoic acid methyl ester
orb2283001AOAFVSVYRSUDBN-UHFFFAOYSA-NCHEBI:196215LMFA07010527MFCD00214329PD078018HY-166193SFE 1:0/16:1(8)(14Me)
Database identifiers
- CAS
2490-49-5- PubChem CID
- 520159
- DTXSID
DTXSID001016325- ChEBI
CHEBI:196215- EC Number
- 680-570-0
- Nikkaji
- J111.009H
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Boiling point
- 156.5 °C · 156.5 °C(Press: 1.95 Torr)
- Density
- 0.863 · 0.863±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 20 mg/ml
- form
- Liquid
- 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
Description14-methyl Palmitic acid methyl ester is a methylated fatty acid methyl ester that has been found in A. indica leaf extract, S. alboflavus TD-1, and as a minor component in biodiesel produced from C. sorokiniana microalgae. It is a volatile compound released by maize that reduces growth of F. verticillioides in a concentration-dependent manner. 14-methyl Palmitic acid methyl ester has been used as a standard for the quantification of 14-methyl palmitic acid in various foods by GC-MS. [Matreya, LLC. Catalog No. 1614]
UsesMethyl 14-methylhexadecanoate is an ester product.
Upstream & downstream products
Upstream raw materials
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Compound notes
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