Basic information
- CAS
702-50-1- Standard SMILES
CC1(C)CC(=O)C(C)(C)C(=O)C1- InChIKey
RMYOPLPHLGBSCY-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-
- IUPAC
- 2,2,5,5-tetramethylcyclohexane-1,3-dione
- English name
- 2,2,5,5-Tetramethylcyclohexane-1,3-dione
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
2,2,5,5-Tetramethyl-1,3-cyclohexanedione1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-Methone, dimethyl-Medone, dimethyl-NSC 23390NSC 116256DTXSID5061031RefChem:72550DTXCID5046641RMYOPLPHLGBSCY-UHFFFAOYSA-N702-50-12,2,5,5-tetramethylcyclohexane-1,3-dione
Show more names
Dimethylmethone
2,2-DimethyldimedoneNSC-23390NSC-1162561, 2,2,5,5-tetramethyl-2,5,5-Tetramethyl-1,3-cyclohexanedione2,?2,?5,?5-?Tetramethyl-1,?3-?cyclohexanedionePT8E54VP96SCHEMBL10588951
Database identifiers
- CAS
702-50-1- PubChem CID
- 69706
- DTXSID
DTXSID5061031- UNII
- PT8E54VP96
- EC Number
- 190-562-4
- Nikkaji
- J100.320H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 245.8 · 245.8±23.0 °C(Predicted)
- Density
- 0.954 · 0.954±0.06 g/cm3(Predicted)
- solubility
- Chloroform
- form
- Solid
- color
- White
- EPA Substance Registry System
- 1 · 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- (702-50-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-: INACTIVE
Applications
Uses2,2,5,5-Tetramethyl-1,3-cyclohexanedione is an intermediate in synthesizing (+)-cis-Phenothrin (P318100), an isomer of Phenothrin (P318095), which is a pesticide used in the control of pests and insects.
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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