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Dodecenyl Succinic Anhydride Details

: IUPAC Name
3-[(E)-dodec-2-enyl]oxolane-2,5-dione
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5362708
Molecular Weight (mg/mol)266.376
Molecular FormulaC16H26O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
IUPAC Name3-[(E)-dodec-2-enyl]oxolane-2,5-dione
Canonical SMILESCCCCCCCCC/C=C/CC1CC(=O)OC1=O
PUBCHEM IUPAC INCHIKEYUYCICMIUKYEYEU-ZHACJKMWSA-N
Solubility Level2
Vapour Pressure-4.424

Absorption and Metabolism information

XLOGP3 AA5.1
CACTVS TPSA43.4
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP984.891
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.24782 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Dodecenyl Succinic Anhydride

Compound Image


2D Structure

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