Basic information
- CAS
7029-09-6- Standard SMILES
CC(=O)CCCCCCCCC(C)=O- InChIKey
IALFUWZSWAKBDF-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2,11-Dodecanedione
- IUPAC
- dodecane-2,11-dione
- English name
- 2,11-Dodecadione
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
2,11-Dodecanedione7029-09-6DTXSID60334934RefChem:241904DTXCID40286023IALFUWZSWAKBDF-UHFFFAOYSA-Ndodecane-2,11-dione2,11-DodecadioneSCHEMBL2775487MFCD00027648SB38391AS-78509
Show more names
D93558F817477
Database identifiers
- CAS
7029-09-6- PubChem CID
- 522378
- DTXSID
DTXSID60334934- Nikkaji
- J102.258J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 67.4 · 67.4-67.8 °C
- Boiling point
- 160 · 160-166 °C(Press: 12 Torr)
- Density
- 0.897 · 0.897±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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