Basic information
- CAS
55682-92-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC- InChIKey
ZKHOYAKAFALNQD-UHFFFAOYSA-N- Molecular formula
- C29H58O2
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.44368109
Overview
Octacosanoic acid methyl ester is a fatty acid methyl ester.
Names & identifiers
- Preferred name
- Methyl octacosanoate
- IUPAC
- methyl octacosanoate
- English name
- Methyl octacosanoate
- Molecular formula
- C29H58O2
- Molecular weight
- 438.77
Names & synonyms
METHYL OCTACOSANOATE55682-92-3Octacosanoic acid, methyl esterMethyl montanatemontanic acid methyl esterEINECS 259-754-682S906Z1UBDTXSID60204204RefChem:817995DTXCID20126695259-754-6Octacosanoic acid methyl ester
Show more names
MethyloctacosanoatSulfonated ligniteZKHOYAKAFALNQD-UHFFFAOYSA-NMETHYL OCTACOSANOATE, STANDARD FOR GCMethyl octacosanoate,Octacosanoic acid methyl ester
UNII-82S906Z1UBMontanic acid, methyl esterorb2942374SCHEMBL2349831CHEBI:192290MFCD00042896TSH-00088AKOS015903301
Database identifiers
- CAS
55682-92-3- PubChem CID
- 41518
- DTXSID
DTXSID60204204- ChEBI
CHEBI:192290- UNII
- 82S906Z1UB
- EC Number
- 259-754-6
- Nikkaji
- J267.043G
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 27
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 67 · 67-69 °C
- Boiling point
- 458.2 · 458.2±8.0 °C(Predicted)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 25 mg/mL; · DMF: 25 mg/mL; DMF:PBS (pH 7.2)(1:3): 0.25 mg/mL; DMSO: 10 mg/mL; Ethanol: 25 mg/mL
- form
- Liquid
- BRN
- 1802980 · 1802980
- InChI
- 1S/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3
- InChIKey
- ZKHOYAKAFALNQD-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
- LogP
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
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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