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