Methyl nonacosanoate
Basic information
- CAS
4082-55-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC- InChIKey
WGNBXLBBAVTMCK-UHFFFAOYSA-N- Molecular formula
- C30H60O2
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.45933115
Names & identifiers
- Preferred name
- Methyl nonacosanoate
- IUPAC
- methyl nonacosanoate
- English name
- Methyl nonacosanoate
- Molecular formula
- C30H60O2
- Molecular weight
- 452.8
Names & synonyms
METHYL NONACOSANOATE4082-55-7Methyl nonacosan-1-oateNonacosanoic acid, methyl esterNonacosanoic acid methyl esterEINECS 223-808-7SCHEMBL245609orb2943979DTXSID40193809MFCD00057799MSK180030TCL-00186
Show more names
METHYL NONACOSANOATE, STANDARD FOR GC
HY-W127472CS-0185701NS00030852
Database identifiers
- CAS
4082-55-7- PubChem CID
- 20017
- DTXSID
DTXSID40193809- EC Number
- 223-808-7
- Nikkaji
- J217.889C
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 28
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 69 · 69-72 °C
- storage temp.
- 2 · 2-8°C
- Safety Statements
- 22 · 22-24/25
- 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
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesMethyl nonacosanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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