Dioctyl azelate
Basic information
- CAS
2064-80-4- Standard SMILES
CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC- InChIKey
XWVQUJDBOICHGH-UHFFFAOYSA-N- Molecular formula
- C25H48O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.35526001
Names & identifiers
- Preferred name
- Dioctyl azelate
- IUPAC
- dioctyl nonanedioate
- English name
- DI-N-OCTYL AZELATE
- Molecular formula
- C25H48O4
- Molecular weight
- 412.65
Names & synonyms
Dioctyl azelate2064-80-4Di-n-octyl azelatePlasthall DOZNonanedioic acid, dioctyl esterAzelaic acid, dioctyl esterPJL4SPH8NQDTXSID901337817RefChem:1083744DTXCID501768193218-174-3Dioctyl nonanedioate
Show more names
AZELAICACID,DI-N-OCTYLESTERNonanedioic acid dioctyl ester
Dicapryl azelateDioctyl azelaateDioctyl azelaate #EINECS 218-174-3AI3-01984SCHEMBL50559MSK189254Nonanedioic acid, 1,9-dioctyl ester
Database identifiers
- CAS
2064-80-4、68909-85-3- PubChem CID
- 74943
- DTXSID
DTXSID901337817- UNII
- PJL4SPH8NQ
- EC Number
- 218-174-3
- Nikkaji
- J149.458I
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 431.3 · 431.3±13.0 °C(Predicted)
- Density
- 0.92 g/ml · 0.92g/ml
- CAS DataBase Reference
- 2064 · 2064-80-4
- HS Code
- 2917139000 · 2917139000
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 Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Nonanedioic acid, dioctyl ester
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hs_code
- 2917139000
Chemistry & industry
Applications
UsesDioctyl Azelate is a useful chemical compound used as a plasticizer.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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