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| Name |
Isobergamate |
EINECS | N/A |
| CAS No. | 68683-20-5 | Density | 0.976g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H18O2 | Boiling Point | 271°Cat760mmHg |
| Molecular Weight | 194.30 | Flash Point | 120.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Isobergamate Chemical Properties
Molecular Structure of Isobergamate (CAS NO. 68683-20-5):
EINECS: 272-066-0
IUPAC Name: 2-(4-Propan-2-ylcyclohexa-1,4-dien-1-yl)ethyl formate
Molecular Formula: C12H18O2
Molecular Weight: 194.270120 g/mol
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: CC(C)C1=CCC(=CC1)CCOC=O
InChI: InChI=1S/C12H18O2/c1-10(2)12-5-3-11(4-6-12)7-8-14-9-13/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKey: VQKSHQQZPYHYOS-UHFFFAOYSA-N
Index of Refraction: 1.481
Molar Refractivity: 56.62 cm3
Molar Volume: 198.8 cm3
Surface Tension: 32.8 dyne/cm
Density: 0.976 g/cm3
Flash Point: 120.4 °C
Enthalpy of Vaporization: 50.92 kJ/mol
Boiling Point: 271 °C at 760 mmHg
Vapour Pressure: 0.00663 mmHg at 25 °C
Water Solubility of Isobergamate (CAS NO. 68683-20-5): 11.35 mg/L at 25 °C
Isobergamate Toxicity Data With Reference
| 1. | orl-rat LD50:3568 mg/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),75S. | ||
| 2. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),75S. |
Isobergamate Consensus Reports
Reported in EPA TSCA Inventory.
Isobergamate Safety Profile
Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Isobergamate Specification
Isobergamate with cas registry number of 68683-20-5 is also known as 2-(4-Isopropylcyclohexadienyl)ethyl formate ; 4-(1-Methylethyl)cyclohexadiene-1-ethanol formate ; 4-(1-Methylethyl)cyclohexadiene-1-ethyl formate ; 4-(Isopropyl)cyclohexadiene-1-ethyl formate ; Formic acid, (menthadien-7-methanyl) ester ; Menthadiene-7-methyl formate ; Menthadienyl formate ; Menthadienyl formiate ; 1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, 1-formate ; 1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate ; Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate ; Cyclohexadieneethanol, 4-(1-methylethyl)-, formate .
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