Basic information
- CAS
4694-11-5- Standard SMILES
CC1(C)CC(=O)C(C)(C)C1- InChIKey
JDORIKSLMUURSD-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,2,4,4-Tetramethylcyclopentanone
- IUPAC
- 2,2,4,4-tetramethylcyclopentan-1-one
- English name
- 2,2,4,4-TETRAMETHYLCYCLOPENTANONE
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,2,4,4-TETRAMETHYLCYCLOPENTANONE4694-11-52,2,4,4-Tetramethylcyclopentan-1-one2,2,4,4-Tetramethyl-cyclopentanoneMFCD00045444Cyclopentanone, 2,2,4,4-tetramethyl-EINECS 225-154-8BLV27DDC35SCHEMBL14278445DTXSID70196989AKOS006272068SB11520
Show more names
3,3,5,5-TETRAMETHYLCYCLOPENTANONE
AS-50377DB-093395CS-0054036NS00048069P10045F456875
Database identifiers
- CAS
4694-11-5- PubChem CID
- 78417
- DTXSID
DTXSID70196989- UNII
- BLV27DDC35
- EC Number
- 225-154-8
- Nikkaji
- J297.893H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 163.5 °C · 163.5 °C
- Density
- 0.8697 g/cm3 · 0.8697 g/cm3(Temp: 17.5 °C)
- FDA UNII
- 27 DDC35 · BLV27DDC35
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2914290090 · 2914290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Suppliers6 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
HUBEI DING KOSIN TECHNOLOGY+86-8613524650931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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