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7-Butyl-2-oxepanone

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Name

7-Butyl-2-oxepanone

EINECS 226-963-9
CAS No. 5579-78-2 Density 0.933g/cm3
PSA 26.30000 LogP 2.66240
Solubility N/A Melting Point N/A
Formula C10H18 O2 Boiling Point 267.8oC at 760 mmHg
Molecular Weight 170.252 Flash Point 106.3oC
Transport Information N/A Appearance N/A
Safety Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5579-78-2 (7-BUTYL-2-OXEPANONE) Hazard Symbols Xi
Synonyms

Decanoicacid, 6-hydroxy-, e-lactone (6CI,7CI);(?à)-e-Decalactone;e-Decalactone;

Article Data 11

7-Butyl-2-oxepanone Chemical Properties

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

7-Butyl-2-oxepanone Toxicity Data With Reference

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.

7-Butyl-2-oxepanone Consensus Reports

Reported in EPA TSCA Inventory.

7-Butyl-2-oxepanone Safety Profile

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: XiIrritant
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 Specification

 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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