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Basic Information
CAS No.: 1123-09-7
Name: 3,5-Dimethyl-2-cyclohexen-1-one
Molecular Structure:
Molecular Structure of 1123-09-7 (3,5-Dimethyl-2-cyclohexen-1-one)
Formula: C8H12 O
Molecular Weight: 124.183
Synonyms: 3,5-Dimethyl-2-cyclohexen-1-one;NSC 10113; NSC 845
EINECS: 214-369-2
Density: 0.881
Melting Point: 166 °C(Solv: ethanol (64-17-5))
Boiling Point: 211-212 ºC
Flash Point: 79 ºC
Appearance: Clear colorless to very faint yellow liquid. Ketone odor.
Hazard Symbols:
Risk Codes: R20/21/22;R36   
Safety:
Hazard Codes Xn
Risk Statements 36-20/21/22
Safety Statements 36/37/39-26
WGK Germany 3
PSA: 17.07000
LogP: 1.93170
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Chemistry

Molecular Structure of 3,5-Dimethyl-2-cyclohexen-1-one (CAS No.1123-09-7):

Molecular Formula: C8H12O 
Molecular Weight: 124.1803
CAS No: 1123-09-7
IUPAC Name: 3,5-Dimethylcyclohex-2-en-1-one
Product Categories: C7 to C8;Carbonyl Compounds;Ketones
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.46
Molar Refractivity: 36.81 cm3
Molar Volume: 134.2 cm3
Surface Tension: 27.6 dyne/cm
Density: 0.925 g/cm3
Flash Point: 79.4 °C
Enthalpy of Vaporization: 44.48 kJ/mol
Boiling Point: 208.5 °C at 760 mmHg
Vapour Pressure: 0.213 mmHg at 25°C
InChI: InChI=1/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKey: NOQKKFBBAODEHN-ZETCQYMHBI
Std. InChI: InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3/t7-/m0/s1
Std. InChIKey: NOQKKFBBAODEHN-ZETCQYMHSA-N

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 36-20/21/22
R36:Irritating to eyes. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Specification

  3,5-Dimethyl-2-cyclohexen-1-one (CAS No.1123-09-7), its synonyms are 2-Cyclohexen-1-one, 3,5-dimethyl- ; 3,5-Dimethylcyclohex-2-en-1-one .