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3188-00-9

Basic Information
CAS No.: 3188-00-9
Name: 2-Methyltetrahydrofuran-3-one
Article Data: 10
Molecular Structure:
Molecular Structure of 3188-00-9 (2-Methyltetrahydrofuran-3-one)
Formula: C5H8O2
Molecular Weight: 100.117
Synonyms: 2-Methyl-2H-furan-3-one;2-Methyl-3-ketotetrahydrofuran;2-Methyl-3-oxotetrahydrofuran;2-Methyl-tetrahydrofurfuryl-3-one;2-Methyloxolan-3-one;Dihydro-2-methyl-3(2H)-furanone;Dihydro-2-methyl-3-furanone;
EINECS: 221-685-4
Density: 1.04 g/cm3
Boiling Point: 139 °C at 760 mmHg
Flash Point: 53.7 °C
Appearance: Colorless to light yellow liquid
Hazard Symbols: HarmfulXn, ToxicT, IrritantXi
Risk Codes: 10-22-36/37/38
Safety: 16-26-36/37/39-24/25
Transport Information: UN 1224 3/PG 3
PSA: 26.30000
LogP: 0.36430
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  • 2-Methyltetrahydrofuran-3-one Cas no.3188-00-9 98%

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Chemistry

Molecular Structure of 2-Methyltetrahydrofuran-3-one (CAS NO.3188-00-9):

IUPAC Name: 2-Methyloxolan-3-one
Canonical SMILES: CC1C(=O)CCO1
InChI: InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey: FCWYQRVIQDNGBI-UHFFFAOYSA-N
Molecular Weight: 100.11582 [g/mol]
Molecular Formula: C5H8O2
XLogP3-AA: 0
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 221-685-4 
Index of Refraction: 1.43
Molar Refractivity: 24.89 cm3
Molar Volume: 96.2 cm3
Surface Tension: 29.3 dyne/cm
Density: 1.04 g/cm3
Flash Point: 53.7 °C
Enthalpy of Vaporization: 37.63 kJ/mol
Boiling Point: 139 °C at 760 mmHg
Vapour Pressure: 6.56 mmHg at 25 °C
Appearance: Colorless to light yellow liquid
Product Categories: Furan&Benzofuran;API intermediates;ketone Flavor

Uses

 2-Methyltetrahydrofuran-3-one (CAS NO.3188-00-9) is used as a raw material in spices and organic synthesis.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1860mg/kg (1860mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety Profile

Safety Information of 2-Methyltetrahydrofuran-3-one (CAS NO.3188-00-9):
Hazard Codes: HarmfulXn,ToxicT,IrritantXi
Risk Statements: 10-22-36/37/38 
R10:Flammable. 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36/37/39-24/25 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 1224 3/PG 3
WGK Germany: 3
RTECS: LU3579000
F: 3-9
Hazard Note: Toxic
HazardClass: 3
PackingGroup: III

Specification

 2-Methyltetrahydrofuran-3-one (CAS NO.3188-00-9), its Synonyms are 2-Methyl-2H-furan-3-one ; 2-Methyl-3-ketotetrahydrofuran ; 2-Methyl-3-oxotetrahydrofuran ; 2-Methyl-4,5-dihydro-3(2H)-furanone ; 3(2H)-Furanone, dihydro-2-methyl- ; Dihydro-2-methyl-3(2H)-furanone ; Dihydro-2-methyl-3-furanone .