3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one

HCID 587968

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Basic information

CAS: 69225-59-8
Standard SMILES: CC1(C)COC2(CCC(=O)CC2)OC1
InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N
Molecular formula: C11H18O3
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.12559444

Names & identifiers

Preferred name: 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one
IUPAC: 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
English name: 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)
Molecular formula: C11H18O3
Molecular weight: 198.26

Names & synonyms

69225-59-83,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-oneEINECS 273-918-4DTXSID10219262RefChem:485427DTXCID30141753273-918-41,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)1,4-Cyclohexanedione Mono-2,2-dimethyltrimethylene KetalMFCD000066521,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-

Show more names

ene ketaLohexanedione mono-2,2-dimethyL1,4-CYCLOHEXANEDIONE MONONEOPENTYL KETAL,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-8-one1,5-Dioxaspiro[5.5]undecan-9-one,3,3-diMethyl-1,4-cyclohexanedione mono-2,2-dimethyl-trimethyle1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene

3,3-Dimethyl-1,5-dioxa-spiro[5.5]undecan-9-one9,9-dimethyl-7,11-dioxaspiro[5.5]undecan-3-oneSCHEMBL657653AC-14351,5-Dioxaspiro[5,5]undecan-9-one, 3,3-dimethyl-Q633923801,4-Cyclohexanedione, mono-2,2-dimethyltrimethylene-, ketal3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;

Database identifiers

CAS: 69225-59-8
PubChem CID: 587968
DTXSID: DTXSID10219262
EC Number: 273-918-4
Nikkaji: J261.000K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 45 · 45-50 °C(lit.)
Boiling point: 70 °C · 70 °C(Press: 0.05 Torr)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Acetone, Dichloromethane, Ethyl Acetate, Methanol,
form: Solid
color: White
BRN: 3541930 · 3541930
InChI: InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
InChIKey: COKVDTKAWIFNTH-UHFFFAOYSA-N
SMILES: O1C2(CCC(=O)CC2)OCC(C)(C)C1
CAS DataBase Reference: 69225 · 69225-59-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H412
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Risk Statements: 36 · 36/37/38-52/53
Safety Statements: 24 · 24/25-61
WGK Germany: 3 · 3
HS Code: 29329990 · 29329990

Safety & regulation

GHS classification

GHS Classification · 4 items

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.