Basic information
- CAS
5693-14-1- Standard SMILES
CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)O- InChIKey
ZPJDFKVKOFGAFV-UHFFFAOYSA-N- Molecular formula
- C22H42O4
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.30830982
Names & identifiers
- Preferred name
- Octadecylsuccinic acid
- IUPAC
- 2-octadecylbutanedioic acid
- English name
- n-Octadecylsuccinic acid
- Molecular formula
- C22H42O4
- Molecular weight
- 370.57
Names & synonyms
Octadecylsuccinic acid2-octadecylbutanedioic acid5693-14-1n-octadecylsuccinic acidEINECS 227-161-1monostearyl succinic acidSCHEMBL337797DTXSID10972365NS000468552-stearylsuccinic acid2-Octadecylsuccinic acidN-OCTADECYLSUCCINIC ACID 96%
Show more names
Butanedioic acid, 2-octadecyl-
Database identifiers
- CAS
5693-14-1- PubChem CID
- 110691
- DTXSID
DTXSID10972365- EC Number
- 227-161-1
- Nikkaji
- J225.095K
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 99 · 99-101°C
- Boiling point
- 480.6 · 480.6±18.0 °C(Predicted)
- Density
- 0.971 · 0.971±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.19(Predicted)
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety data
- safety_code
- 22-24/25
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
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