2,3,6-trimethylheptan-4-one

Modify Date: 2025-09-25 22:11:25

2,3,6-trimethylheptan-4-one Structure
2,3,6-trimethylheptan-4-one structure
 Common Name 2,3,6-trimethylheptan-4-one
CAS Number 5453-96-3 Molecular Weight 156.26500
Density 0.814g/cm3 Boiling Point 181.1ºC at 760 mmHg
Molecular Formula C10H20O Melting Point N/A
MSDS N/A Flash Point 46.6ºC

 Names

Name 2,3,6-trimethylheptan-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.814g/cm3
Boiling Point 181.1ºC at 760 mmHg
Molecular Formula C10H20O
Molecular Weight 156.26500
Flash Point 46.6ºC
Exact Mass 156.15100
PSA 17.07000
LogP 2.89370
Index of Refraction 1.417
InChIKey ADCMLYKEZQPOKL-UHFFFAOYSA-N
SMILES CC(C)CC(=O)C(C)C(C)C

 Synthetic Route

2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

2,3,6-trimethylheptan-4-one Structure

2,3,6-trimethyl...

CAS#:5453-96-3

Literature: Yokoyama, Yasuo; Mochida, Kunio Journal of Organometallic Chemistry, 1995 , vol. 499, # 1-2 p. C4 - C6
2,6-Dimethyl-4-heptanone structure

2,6-Dimethyl-4-...

CAS#:108-83-8

Dimethylcopperlithium structure

Dimethylcopperl...

CAS#:15681-48-8

~%

2,3,6-trimethylheptan-4-one Structure

2,3,6-trimethyl...

CAS#:5453-96-3

Literature: Dubois,J.-E.; Lion,C. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1971 , vol. 272, p. 1377 - 1380

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

2,3,6-trimethyl-heptan-4-one
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