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Basic information
- CAS
23017-93-8- Standard SMILES
CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)OO- InChIKey
JDSRHVWSAMTSSN-BSZOFBHHSA-N- Molecular formula
- C18H32O4
- Average molar mass
- 312.45 g/mol
- Monoisotopic mass
- 312.2300595
Names & identifiers
- Preferred name
- 13-Hydroperoxy-9-cis-11-trans-octadecadienoic acid
- IUPAC
- (9Z,11E)-13-Hydroperoxyoctadeca-9,11-dienoic acid
- English name
- 13-hydroperoxy-9,11-octadecadienoic acid
- Molecular formula
- C18H32O4
- Molecular weight
- 312.44
Names & synonyms
JDSRHVWSAMTSSN-BSZOFBHHSA-N()13-HpODE(solution in ethanol)(±)13-HpODE(solution in ethanol)Oleic Acid Impurity 68 (13-HPODE)13-hydroperoxy-9,11-octadecadienoic acid9,11-Octadecadienoic acid, 13-hydroperoxy-, (9Z,11E)-
Database identifiers
- CAS
23017-93-8- PubChem CID
- 6437847
- DTXSID
DTXSID101266533- ChEBI
CHEBI:91272- UNII
- DPF3WUY4S4
- Nikkaji
- J503.471J
Properties
Physicochemical properties
- Boiling point
- 449.9 · 449.9±28.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- Liquid
- color
- Colorless to light yellow
- InChI
- InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+
- InChIKey
- JDSRHVWSAMTSSN-BSZOFBHHSA-N
- SMILES
- C(O)(=O)CCCCCCC/C=C\C=C\C(OO)CCCCC
- FDA UNII
- 3 WUY4S4 · DPF3WUY4S4
- Symbol(GHS)
- 2 · GHS02,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H350
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- Hazard statements
- H225-H350
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P308+P313-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Uses(±)13-HpODE, is a racemic mixture of hydroperoxides derived non-enzymatically from linoleic acid through the action of reactive oxygen species.
Suppliers14 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Additional notes
DefinitionChEBI: An HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroperoxy group is at position 13.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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