dodecane-6,7-dione

Modify Date: 2025-08-25 10:42:28

dodecane-6,7-dione Structure
dodecane-6,7-dione structure
Common Name dodecane-6,7-dione
CAS Number 13757-90-9 Molecular Weight 198.30200
Density 0.897g/cm3 Boiling Point 255.2ºC at 760 mmHg
Molecular Formula C12H22O2 Melting Point N/A
MSDS N/A Flash Point 97.2ºC

 Names

Name dodecane-6,7-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.897g/cm3
Boiling Point 255.2ºC at 760 mmHg
Molecular Formula C12H22O2
Molecular Weight 198.30200
Flash Point 97.2ºC
Exact Mass 198.16200
PSA 34.14000
LogP 3.28520
Vapour Pressure 0.0165mmHg at 25°C
Index of Refraction 1.435
InChIKey HGPCKXFCLDLIFH-UHFFFAOYSA-N
SMILES CCCCCC(=O)C(=O)CCCCC

 Synthetic Route

 dodecane-6,7-dioneBioassay

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Name: Inhibition of human intestinal carboxylesterase assessed as hydrolysis of CPT-11 afte...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL1816219
Name: Inhibition of intestinal carboxylesterase in human U373MG cells using 4-methylumbelli...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL1816220
Name: Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substr...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL1816213
Name: Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816212
Name: Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate ...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1816214
Name: Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by sp...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL1816217
Name: Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spec...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL1816216
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 Synonyms

Dodecan-6,7-dion
6,7-DODECANEDIONE
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