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Basic Information
CAS No.: 24282-51-7
Name: 1-(3-hydroxy-2,2,5,5-tetramethyltetrahydrofuran-3-yl)ethanone
Molecular Structure:
Molecular Structure of 24282-51-7 (1-(3-hydroxy-2,2,5,5-tetramethyltetrahydrofuran-3-yl)ethanone)
Formula: C10H18 O3
Molecular Weight: 186.28
Synonyms: Ketone,methyl tetrahydro-3-hydroxy-2,2,5,5-tetramethyl-3-furyl (8CI)
Density: 1.016g/cm3
Boiling Point: 267.6°Cat760mmHg
Flash Point: 97.1°C
Solubility: 19.61g/L(room temperature)
Safety: Moderately toxic by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 46.53000
LogP: 1.28400
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Chemistry

Product Name: 3-Hydroxy-2,2,5,5-tetramethyltetrahydro-3-furyl methyl ketone (CAS NO.24282-51-7)


Molecular Formula: C10H18O3
Molecular Weight: 186.28g/mol
Mol File: 24282-51-7.mol
Boiling point: 267.6 °C at 760 mmHg
Flash Point: 97.1 °C
Density: 1.016 g/cm3
Surface Tension: 30.9 dyne/cm
Enthalpy of Vaporization: 58.71 kJ/mol
Vapour Pressure: 0.0011 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 3-Hydroxy-2,2,5,5-tetramethyltetrahydro-3-furyl methyl ketone (CAS NO.24282-51-7):
  IUPAC Name: 1-(3-Hydroxy-2,2,5,5-tetramethyloxolan-3-yl)ethanone
  Canonical SMILES: CC(=O)C1(CC(OC1(C)C)(C)C)O
  InChI: InChI=1S/C10H18O3/c1-7(11)10(12)6-8(2,3)13-9(10,4)5/h12H,6H2,1-5H3 
  InChIKey: WZUUKKCWNCMNGA-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 715mg/kg (715mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: ATAXIA		 Journal of Pharmacy and Pharmacology. Vol. 22, Pg. 694, 1970.

Safety Profile

Moderately toxic by intravenous route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 3-Hydroxy-2,2,5,5-tetramethyltetrahydro-3-furyl methyl ketone , its CAS NO. is 24282-51-7, the synonyms are 2,2,5,5-Tetramethyltetrahydro-3-hydroxy-3-furanyl methyl ketone ; Ketone, 3-hydroxy-2,2,5,5-tetramethyltetrahydro-3-furyl methyl- .