Basic information
- CAS
14090-88-1- Standard SMILES
CCCC(=O)CC(=O)CCC- InChIKey
ZDYWPVCQPUPOJV-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 4,6-Nonanedione
- IUPAC
- nonane-4,6-dione
- English name
- Nonane-4,6-dione
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
14090-88-14,6-NONANEDIONE4,6-dioxononane75JZE9JA5FDIBUTYRYLMETHANEEINECS 237-938-7DTXSID2065703RefChem:508169DTXCID5034565Nonane-4,6-dioneMFCD00041931UNII-75JZE9JA5F
Show more names
AKOS MSC-03824,6-Nonanedione,99%Nonane-4,6-dione ,99%
C02445SCHEMBL1701664SCHEMBL28410850CHEBI:16111AC4162AKOS004115251SY030040DB-244678
Database identifiers
- CAS
14090-88-1- PubChem CID
- 26454
- DTXSID
DTXSID2065703- ChEBI
CHEBI:16111- UNII
- 75JZE9JA5F
- EC Number
- 237-938-7
- Nikkaji
- J216.863D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
Kovats Retention Index1152
Physicochemical properties
- Melting point
- -46 °C · -46 °C
- Boiling point
- 79 · 79-81°C 8mm
- Density
- 0.9181 g/cm3 · 0.9181 g/cm3(Temp: 16 °C)
- pka
- 9.56 · 9.56±0.10(Predicted)
- InChI
- InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
- InChIKey
- ZDYWPVCQPUPOJV-UHFFFAOYSA-N
- SMILES
- CCCC(=O)CC(=O)CCC
- FDA UNII
- 75 JZE9JA5F · 75JZE9JA5F
- EPA Substance Registry System
- 4 · 4,6-Nonanedione (14090-88-1)
- TSCA
- TSCA listed
- HS Code
- 2914199090 · 2914199090
Safety & regulation
Safety data
- tsca
- TSCA listed
- hs_code
- 2914199090
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,6-Nonanedione: INACTIVE
Applications
UsesNonane-4,6-dione can be useful in the study of gene pvaB and oxidized polyvinyl alcohol hydrolase of Pseudomonas sp. strain VM15C.
Suppliers19 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广州凯途化学有限公司18802095185 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
张家界恒康生物药业有限公司0731-85561023 18973109536
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Related reactions
5 records
Compound notes
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