Basic information
- CAS
77630-51-4- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC- InChIKey
SQHVQEYSKBNZDY-UHFFFAOYSA-N- Molecular formula
- C32H64O2
- Average molar mass
- 480.8 g/mol
- Monoisotopic mass
- 480.49063128
Overview
Methyl hentriacontanoate has been reported in Chondria armata with data available.
Names & identifiers
- Preferred name
- Methyl hentriacontanoate
- IUPAC
- methyl hentriacontanoate
- English name
- Methyl hentriacontanoate
- Molecular formula
- C32H64O2
- Molecular weight
- 480.85
Names & synonyms
METHYL HENTRIACONTANOATE77630-51-4DTXSID90228291RefChem:157889METHYL hentriacontanoic acidDTXCID10150782SQHVQEYSKBNZDY-UHFFFAOYSA-NHentriacontanoic acid methyl esterHentriacontanoic acid,methyl esterSCHEMBL31498966MFCD00057801HY-165649
Show more names
METHYL HENTRIACONTANOATE, STANDARD FOR G C
34BD01C7-7CEF-44D4-BD52-D5695EEFBEA3
Database identifiers
- CAS
77630-51-4- PubChem CID
- 53705
- DTXSID
DTXSID90228291- Nikkaji
- J1.591.148D
Properties
Computed structural properties
- XLogP
- 16
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 30
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 484.2 · 484.2±8.0 °C(Predicted)
- Density
- 0.858 · 0.858±0.06 g/cm3(Predicted)
- 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 hentriacontanoate is an ester product.
Suppliers3 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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