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2758-18-1

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Basic Information
CAS No.: 2758-18-1
Name: 3-Methyl-2-cyclopenten-1-one
Article Data: 100
Cas Database
Molecular Structure:
Molecular Structure of 2758-18-1 (3-Methyl-2-cyclopenten-1-one)
Formula: C6H8O
Molecular Weight: 96.1289
Synonyms: 3-Methyl-2-cyclopenten-1-one;3-Methyl-2-cyclopentene-1-one;3-Methyl-2-cyclopentenone;Nussol;3-Methyl-2cyclopentene-1-one;
EINECS: 220-421-5
Density: 0.996 g/cm3
Melting Point: 3-5 °C(lit.)
Boiling Point: 157.5 °C at 760 mmHg
Flash Point: 53.1 °C
Solubility: miscible in water
Appearance: clear light yellow to yellow-brownish liquid
Hazard Symbols: 36/38:;
Risk Codes: 36/38
Safety: 24/25
PSA: 17.07000
LogP: 1.29560
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Chemistry

Molecular Structure of 2-Cyclopenten-1-one,3-methyl- (CAS NO.2758-18-1):

IUPAC Name: 3-Methylcyclopent-2-en-1-one 
Molecular Formula: C6H8O
Molecular Weight: 96.13
EINECS: 220-421-5
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 1
Melting Point: 3-5 °C(lit.)
Index of Refraction: 1.481
Molar Refractivity: 27.49 cm3
Molar Volume: 96.4 cm3
Surface Tension: 32.1 dyne/cm
Density: 0.996 g/cm3
Flash Point: 53.1 °C
Enthalpy of Vaporization: 39.42 kJ/mol
Boiling Point: 157.5 °C at 760 mmHg
Vapour Pressure: 2.74 mmHg at 25 °C
storage temp.: Refrigerator (+4 °C)
Water Solubility: miscible
Product Categories: ketone; C3 to C6; Carbonyl Compounds; Ketones
Canonical SMILES: CC1=CC(=O)CC1
InChI: InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
InChIKey: CHCCBPDEADMNCI-UHFFFAOYSA-N

Safety Profile

Safety Information of 2-Cyclopenten-1-one,3-methyl- (CAS NO.2758-18-1):
Risk Statements: 36/38 
R36/38:Irritating to eyes and skin.
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
RIDADR: 1224
WGK Germany: 3
PackingGroup: III

Specification

  2-Cyclopenten-1-one,3-methyl- , with CAS number of 2758-18-1, can be called 1-Methyl-1-cyclopenten-3-one ; 3-methyl-2-cyclopenten-1-on ; 3-Methyl-cyclopent-2-enone ; 3-methylcyclopent-2-enone ; Methylcyclopentenone ; 3-Methyl-2-cyclopenten-1-one ; 3-Methyl-2-cyclopentene-1-one ; 3-Methyl-2-cyclopentenone . 2-Cyclopenten-1-one,3-methyl- (CAS NO.2758-18-1) is a clear light yellow to yellow-brownish liquid.

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