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Cas Database |
| Name |
Myrtenyl acetate |
EINECS | N/A |
| CAS No. | 1079-01-2 | Density | 1.009g/cm3 |
| PSA | 26.30000 | LogP | 2.54190 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H18 O2 | Boiling Point | 243.244°C at 760 mmHg |
| Molecular Weight | 194.274 | Flash Point | 97.778°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Slightly toxic 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 |
2-Pinen-10-ol,acetate (6CI,7CI,8CI); Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate,(1S)-; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S,5R)-(9CI); (+)-Myrtenyl acetate; Myrtenyl acetate |
Article Data | 10 |
Myrtenyl acetate Chemical Properties
Molecule structure of Myrtenyl acetate (CAS NO.1079-01-2) :
IUPAC Name: (7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl acetate
Molecular Weight: 194.27012 g/mol
Molecular Formula: C12H18O2
Density: 1.009 g/cm3
Boiling Point: 243.2 °C at 760 mmHg
Flash Point: 97.8 °C
Index of Refraction: 1.483
Molar Refractivity: 54.98 cm3
Molar Volume: 192.4 cm3
Polarizability: 21.79*10-24 cm3
Surface Tension: 30.7 dyne/cm
Enthalpy of Vaporization: 48.03 kJ/mol
Vapour Pressure: 0.0325 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 194.13068
MonoIsotopic Mass: 194.13068
Topological Polar Surface Area: 26.3
Heavy Atom Count: 14
Complexity: 289
Canonical SMILES: CC(=O)OCC1=CCC2CC1C2(C)C
InChI: InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
InChIKey: BKATZVAUANSCKN-UHFFFAOYSA-N
EINECS of Myrtenyl acetate (CAS NO.1079-01-2) : 252-909-9
Myrtenyl acetate Toxicity Data With Reference
| 1. | orl-rat LD50:2600 mg/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),389. | ||
| 2. | skn-rbt LDLo:5 g/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),389. |
Myrtenyl acetate Consensus Reports
Reported in EPA TSCA Inventory.
Myrtenyl acetate Safety Profile
Moderately toxic by ingestion. Slightly toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
WGK Germany: 2
RTECS: DT6500000
Myrtenyl acetate Specification
Myrtenyl acetate (CAS NO.1079-01-2) is also called (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate ; 2-Pinen-10-ol, acetate ; 2-Pinen-10-yl acetate ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)- ; FEMA No. 3765 ; (1S)-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate ; 2-Pinen-10-ol, acetate (6CI,7CI,8CI) ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)- ; Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S,5R)- .
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