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| Name |
Acetic acid, 3-allyloxyallyl ester |
EINECS | N/A |
| CAS No. | 64046-61-3 | Density | 0.981g/cm3 |
| PSA | 35.53000 | LogP | 1.26580 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H12 O3 | Boiling Point | 205.4°Cat760mmHg |
| Molecular Weight | 156.20 | Flash Point | 77.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Propen-1-ol,3-(2-propenyloxy)-, acetate (9CI) |
Acetic acid, 3-allyloxyallyl ester Chemical Properties
Molecular Formula: C8H12O3
Molecular Weight: 156.179080 g/mol
The Molecular Structure of Acetic acid, 3-allyloxyallyl ester (CAS NO.64046-61-3):
Classification: Skin / Eye Irritant
Density: 0.981 g/cm3
Flash Point: 77.2 °C
Enthalpy of Vaporization: 44.16 kJ/mol
Boiling Point: 205.4 °C at 760 mmHg
Vapour Pressure: 0.251 mmHg at 25°C
IUPAC: [(E)-3-prop-2-enoxyprop-2-enyl] acetate
Nominal Mass: 156 Da
Average Mass: 156.1791 Da
Monoisotopic Mass: 156.078644 Da
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.4
ACD/LogD (pH 7.4): 1.4
ACD/BCF (pH 5.5): 6.82
ACD/BCF (pH 7.4): 6.82
ACD/KOC (pH 5.5): 137.5
ACD/KOC (pH 7.4): 137.5
Polar Surface Area: 35.53Å2
Index of Refraction: 1.445
Molar Refractivity: 42.41 cm3
Molar Volume: 159.1 cm3
Surface Tension: 29.5 dyne/cm
InChI:InChI=1/C8H12O3/c1-3-5-10-6-4-7-11-8(2)9/h3-4,6H,1,5,7H2,2H3/b6-4+
Smiles: C(=C\OCC=C)\COC(C)=O
Acetic acid, 3-allyloxyallyl ester Toxicity Data With Reference
| 1. | orl-rat LD50:3730 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
| 2. | skn-rbt LD50:350 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. |
Acetic acid, 3-allyloxyallyl ester Safety Profile
Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Acetic acid, 3-allyloxyallyl ester Specification
Acetic acid, 3-allyloxyallyl ester (CAS NO.64046-61-3) is also called as 3-Allyloxyallyl acetate ; 3-Allyloxyallylester kyseliny octove ; 3-Allyloxyallylester kyseliny octove [Czech] .
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