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2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]-

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Name

2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]-

EINECS N/A
CAS No. 581-12-4 Density 1.016g/cm3
PSA 39.44000 LogP 3.89510
Solubility N/A Melting Point N/A
Formula C15H22O3 Boiling Point 343.6°Cat760mmHg
Molecular Weight 250.338 Flash Point 161.6°C
Transport Information N/A Appearance N/A
Safety A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes N/A
Molecular Structure Molecular Structure of 581-12-4 ((-)-Ngainone) Hazard Symbols N/A
Synonyms

Ipomeamaron;

 

2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- Chemical Properties

Product Name: 2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- 
Registry Number: 581-12-4
IUPAC Name: 1-[(2R,5S)-5-furan-3-yl-2-methyloxolan-2-yl]-4-methylpentan-2-one
Synonyms: 1-(5-(3-Furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-pentanone, (2R,5S)-(-) ; Ngaione 
Systematic Name: 2-Pentanone, 1-(5-(3-furyl)-2-methyl-tetrahydro-2-furyl)-4-methyl-, (2R,5S)-(-)- ; 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl-(2,3'-bifuran)-5-yl)-, (2S-cis)- (9CI)
Molecular Weight: 250.33338 [g/mol]
Molecular Formula: C15H22O3
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3 
Surface Tension: 35.6 dyne/cm
Density: 1.016 g/cm3
Flash Point: 161.6 °C
Enthalpy of Vaporization: 58.75 kJ/mol
Boiling Point: 343.6 °C at 760 mmHg
Vapour Pressure: 6.95E-05 mmHg at 25°C
Following is the molecular structure of 2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- (CAS NO.581-12-4) is:

2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 188mg/kg (188mg/kg) LIVER: OTHER CHANGES Nongsa Sihom Yongu Pogo. Research Reports on Agricultural Experimentation. Vol. 26(2), Pg. 64, 1984.
mouse LD50 oral 280mg/kg (280mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" British Journal of Experimental Pathology. Vol. 53, Pg. 242, 1972.
rat LD50 intraperitoneal 153mg/kg (153mg/kg) LIVER: OTHER CHANGES Nongsa Sihom Yongu Pogo. Research Reports on Agricultural Experimentation. Vol. 26(2), Pg. 64, 1984.
rat LD50 oral 350mg/kg (350mg/kg)   Australian Journal of Chemistry. Vol. 23, Pg. 107, 1970.

2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- Safety Profile

A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.

2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- Specification

 2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl]- (CAS NO.581-12-4) can be found in moldy sweet potatoes and Myoporum deserti; RN given refers to cpd without isomeric designation.

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