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Basic information
- CAS
89560-01-0- Standard SMILES
CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O- InChIKey
AGKRHAILCPYNFH-DUQSFWPASA-N- Molecular formula
- C22H40O2
- Average molar mass
- 336.6 g/mol
- Monoisotopic mass
- 336.30283051
Names & identifiers
- Preferred name
- 7,7-Dimethyl-5,8-eicosadienoic acid
- IUPAC
- (5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
- English name
- 7,7-Dimethyleicosadienoic acid
- Molecular formula
- C22H40O2
- Molecular weight
- 336.55
Names & synonyms
89560-01-07,7-Dimethyl-5,8-eicosadienoic acid7,7-Dimethyl-eda7,7-Dimethyl-eicosadienoic acid5,8-Eicosadienoic acid, 7,7-dimethyl-, (Z,Z)-DTXSID401017363RefChem:914132DTXCID2014755757,7-Dimethyl-(5Z,8Z)-eicosadienoic acid(5Z,8Z)-7,7-Dimethylicosa-5,8-dienoic acid7,7-dimethyleicosadienoic acid7,7-dimethyl-5Z,8Z-eicosadienoic acid
Show more names
7,7-Dimethyleicosadienoic Acid (DEDA)7,7-DIMETHYL-(5Z,8Z)-EICOSA-DIENOIC ACID7,7-Dimethyleicosadienoic acid, PLA2 inhibitor5,8-Eicosadienoic acid, 7,7-dimethyl-, (5Z,8Z)-
DEDALopac-D-8008BSPBio_001459BML3-B09orb2646365SCHEMBL1319566CHEMBL1323529CHEBI:182994
Database identifiers
- CAS
89560-01-0- PubChem CID
- 5312331
- DTXSID
DTXSID401017363- ChEMBL
CHEMBL1323529
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 456.1 · 456.1±24.0 °C(Predicted)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Viscous colorless or pale yellow oil.
- pka
- 4.76 · 4.76±0.10(Predicted)
- Risk Statements
- 23 · 23/24/25-36/38-39/23/24/25
- Safety Statements
- 7 · 7-24-36/37-45
- WGK Germany
- -
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
- -
- risk_code
- 23/24/25-36/38-39/23/24/25
- safety_code
- 7-24-36/37-45
Chemistry & industry
Applications
Uses7,7-Dimethyleicosadienoic Acid (DEDA) is an inhibitor of PLA2, sPLA2, and 5-LO.
Suppliers6 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: 7,7-dimethyl-5,8-Eicosadienoic Acid is a long-chain fatty acid.
Related reactions
1 records
Compound notes
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