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Basic Information
CAS No.: 4951-97-7
Name: 1-(3-Ethyl-2,2-dimethylcyclobutyl)ethanone
Article Data: 5
Molecular Structure:
Molecular Structure of 4951-97-7 (1-(3-Ethyl-2,2-dimethylcyclobutyl)ethanone)
Formula: C10H18O
Molecular Weight: 154.252
Synonyms: 1-Acetyl-2.2-dimethyl-3-aethyl-cyclobutan;3-ETHYL-2,2-DIMETHYLCYCLOBUTYL METHYL KETONE (Z)-;1-((1S)-2.2-Dimethyl-3c-aethyl-cyclobutyl-(r))-aethanon-(1);
Density: 0.865g/cm3
Boiling Point: 196°Cat760mmHg
Flash Point: 79.4°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 17.07000
LogP: 2.64770
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Chemistry

IUPAC Name: 1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
Synonyms of 3-ethyl-2,2-dimethylcyclobutyl methyl Ketone (Z)- (CAS NO.4951-97-7): Cyclobutane, 1-acetyl-2,2-dimethyl-3-ethyl-, (cis)- ; Ketone, 3-ethyl-2,2-dimethylcyclobutyl methyl (Z)-
CAS NO: 4951-97-7
Molecular Formula of 3-ethyl-2,2-dimethylcyclobutyl methyl Ketone (Z)- (CAS NO.4951-97-7): C10H18O
Molecular Weight: 154.2493
Molecular Structure:

H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.432
Molar Refractivity: 46.3 cm3
Molar Volume: 178.2 cm3
Surface Tension: 24.9 dyne/cm
Density of 3-ethyl-2,2-dimethylcyclobutyl methyl Ketone (Z)- (CAS NO.4951-97-7): 0.865 g/cm3
Flash Point: 79.4 °C
Enthalpy of Vaporization: 43.22 kJ/mol
Boiling Point: 196 °C at 760 mmHg
Vapour Pressure: 0.409 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 783, 1955.

Safety Profile

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

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid