1,4-Cyclohexanedione bis(ethylene ketal)
Basic information
- CAS
183-97-1- Standard SMILES
C1COC2(CCC3(CC2)OCCO3)O1- InChIKey
YSMVSEYPOBXSOK-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 1,4-Cyclohexanedione bis(ethylene ketal)
- IUPAC
- 1,4,9,12-tetraoxadispiro[4.2.48.25]tetradecane
- English name
- 1,4-Cyclohexanedione bis(ethylene ketal)
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
183-97-11,4-Cyclohexanedione bis(ethylene ketal)DTXSID40171369NSC 151712RefChem:73178DTXCID3093860InChI=1/C10H16O4/c1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h1-8HYSMVSEYPOBXSOK-UHFFFAOYSA-N1,4,9,12-Tetraoxadispiro[4.2.4.2]tetradecane1,4,9,12-tetraoxadispiro[4.2.48.25]tetradecane1,4-Cyclohexanedione bis(ethylene acetal)MFCD00010851
Show more names
1,4-Cyclohexanedione diethylene ketal1,4-CYCLOHEXANEDIONE BISETHYLENE KETAL F1,4-Cyclohexianedione bis(ethylene acetal)1,4-Cyclohexanedione Bis(ethyleneketal) >1,4,9,12-TETRAOXADISPIRO[4.2.4.2]TETRADECANE1,4-cyclohexyldionebis(ethylenethylaldehyde)2,5-bis(butylamino)cyclohexa-2,5-diene-1,4-dione1,4-Cyclohexanedione bis(ethylene glycol) diketal
1,4,9,12-Tetraoxadispiro[4,2,4,2]tetradecane1,4-Cyclohexanedione Bis(ethyleneketal)SCHEMBL1809810HMS560G07AKOS006228662CCG-247465D894261,4-Cyclohexanedione bis(ethylene ketal), 99%
Database identifiers
- CAS
183-97-1- PubChem CID
- 135986
- DTXSID
DTXSID40171369- EC Number
- 625-496-1
- Nikkaji
- J364.577K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 79 · 79-80 °C (lit.)
- Boiling point
- 75 · 75-85 °C/0.5 mmHg (lit.)
- Density
- 1.1508 · 1.1508 (rough estimate)
- refractive index
- 1.4459 · 1.4459 (estimate)
- Flash point
- 75 · 75-85°C/0.5mm
- storage temp.
- 30 °C · Store below +30°C.
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C10H16O4/c1-2-10(13-7-8-14-10)4-3-9(1)11-5-6-12-9/h1-8H2
- InChIKey
- YSMVSEYPOBXSOK-UHFFFAOYSA-N
- SMILES
- O1C2(CCC3(OCCO3)CC2)OCC1
- CAS DataBase Reference
- 183 · 183-97-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1,4-Cyclohexanedione bis(ethylene ketal)(183-97-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesHydrolysis of 1,4-cyclohexanedione bis(ethylene ketal) at 250°C has been reported.
General DescriptionHydrolysis of 1,4-cyclohexanedione bis(ethylene ketal) at 250°C has been reported.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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