CAS No.5579-78-2,7-BUTYL-2-OXEPANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5579-78-2
Name:	7-BUTYL-2-OXEPANONE
Article Data:	11

Formula:	C10H18 O2
Molecular Weight:	170.252
Synonyms:	Decanoicacid, 6-hydroxy-, e-lactone (6CI,7CI);(?à)-e-Decalactone;e-Decalactone;
EINECS:	226-963-9
Density:	0.933g/cm3
Boiling Point:	267.8oC at 760 mmHg
Flash Point:	106.3oC
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA:	26.30000
LogP:	2.66240

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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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: Xi Irritant
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

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 .