Product Name: 7-Butyl-2-oxepanone (CAS NO.5579-78-2)
Molecular Formula: C10H18O2
Molecular Weight: 170.25g/mol
Mol File: 5579-78-2.mol
Einecs: 226-963-9
Boiling point: 267.8 °C at 760 mmHg
Flash Point: 106.3 °C
Density: 0.976 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.461(lit.)
Surface Tension: 29.3 dyne/cm
Enthalpy of Vaporization: 50.58 kJ/mol
Vapour Pressure: 0.00799 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: 7-butyloxepan-2-one
Canonical SMILES: CCCCC1CCCCC(=O)O1
InChI: InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey: YKVIWISPFDZYOW-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 5252mg/kg (5252mg/kg) | Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. |
Reported in EPA TSCA Inventory.
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of 7-Butyl-2-oxepanone (CAS NO.5579-78-2):
Hazard Codes: Xi
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
7-Butyl-2-oxepanone ,its CAS NO. is 5579-78-2,the synonyms is Epsilon-decalactone ; 2-Oxepanone, 7-butyl- ; 5-17-09-00089 (Beilstein Handbook Reference) ; 6-Butylhexanolide ; 6-Hydroxydecanoic acid epsilon-lactone ; BRN 0117541 ; EINECS 226-963-9 ; FEMA No. 3613 ; epsilon-Decalactone .
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