CAS No.96-08-2,1-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96-08-2
Name:	1-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANE
Article Data:	115

Formula:	C10H16 O2
Molecular Weight:	168.236
Synonyms:	7-Oxabicyclo[4.1.0]heptane,1-methyl-4-(2-methyloxiranyl)- (9CI); p-Menthane, 1,2:8,9-diepoxy- (6CI,7CI,8CI);1,2,8,9-Diepoxylimonene; 1,2-Epoxy-1-methyl-4-(1-methylepoxyethyl)cyclohexane;1,2:8,9-Diepoxy-p-menthane;1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane; C 3000;Diepoxylimonene; Dipentene diepoxide; Dipentene dioxide; Dipentene oxide;Epoxide 269; Limonene 1,2:8,9-diepoxide; Limonene diepoxide; Limonene dioxide;NSC 30545; NSC 54753; Unox 269; Unox Epoxide 269; Unoxat Epoxide 269; a-Limonene diepoxide
EINECS:	202-475-1
Density:	1.129g/cm³
Melting Point:	<60oC
Boiling Point:	242 C
Flash Point:	100.4°C
Solubility:	Slightly soluble clear to light yellow liquid
Hazard Symbols:	UN NO.
Risk Codes:	R36/37/38
Safety:	Moderately toxic by skin contact and intramuscular routes. Mildly toxic by ingestion. A skin irritant. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Transport Information:	190kgs
PSA:	25.06000
LogP:	1.73290

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Chemistry

IUPAC: 1-Methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
Limonene dioxide with CAS NO. of 96-08-2 is also called for 1,2,8,9-Diepoxylimonene ; 1,2:8,9-Diepoxy-p-menthane ; 4-(1,2-Epoxy-1-methylethyl)-1-methyl-7-oxabicyclo(4.1.0)heptane ; 5-19-01-00324 (Beilstein Handbook Reference) ; 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(2-methyloxiranyl)- ; 7-Oxabicyclo(4.1.0)heptane, 4-(1,2-epoxy-1-methylethyl)-1-methyl- ; AI3-26044 ; BRN 0107989 ; Dipentene diepoxide ; Dipentene dioxide ; Dipentene oxide ; EINECS 202-475-1 ; Epoxide 269 ; HSDB 5298 ; Limonene diepoxide and so on.
Molecular Formula: C₁₀H₁₆O₂
Molecular Weight: 168.23
EINECS: 202-475-1
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.34
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 5.5): 6.12
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 5.5): 127.33
ACD/KOC (pH 7.4): 127.33
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Heavy Atom Count: 12
Formal Charge: 0
Complexity: 228
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 4
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.523
Molar Refractivity: 45.51 cm³
Molar Volume: 148.9 cm³
Surface Tension: 45.2 dyne/cm
Density: 1.129 g/cm³
Flash Point: 100.4°C
Enthalpy of Vaporization: 47.41 kJ/mol
Boiling Point: 256.5°C at 760 mmHg
Vapour Pressure: 0.0247 mmHg at 25°C
The molecular structure of Limonene dioxide with CAS NO. of 96-08-2:

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	600mg/kg (600mg/kg)		Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
rabbit	LD50	skin	1770uL/kg (1.77mL/kg)	SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE	American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LC50	inhalation	60gm/m³/1H (60000mg/m³)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 777, 1986.
rat	LD50	oral	5630mg/kg (5630mg/kg)		Union Carbide Data Sheet. Vol. 8/22/1961,
rat	LDLo	intraperitoneal	400mg/kg (400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 777, 1986.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by skin contact and intramuscular routes. Mildly toxic by ingestion. A skin irritant. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

1.Treatment of Limonene dioxide (CAS NO. 96-08-2) in wastewater :
Total removal:2.36 percent
Total biodegradation:0.10 percent
Total sludge adsorption:2.15 percent
Total to air:0.11 percent
(using 10000 hr Bio P,A,S)