- Prenyl acetate
- Prenyl salicylate
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| Name |
Prenyl salicylate |
EINECS | N/A |
| CAS No. | 68555-58-8 | Density | 1.113g/cm3 |
| PSA | 46.53000 | LogP | 2.51520 |
| Solubility | 7.51mg/L at 20℃ | Melting Point |
N/A |
| Formula | C12H14O3 | Boiling Point | 305.4°C at 760 mmHg |
| Molecular Weight | 206.26 | Flash Point | 124.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-BUTEN-1-OL,3-METHYL-,SALICYLATE;Benzoic acid,2-hydroxy-,3-methyl-2-butenyl ester;Prenyl salicylate;EINECS 271-434-8;3-Methyl-2-butenyl salicylate; |
Prenyl salicylate Chemical Properties
Molecule structure of Prenyl salicylate (CAS NO.68555-58-8):
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IUPAC Name: 3-Methylbut-2-enyl 2-hydroxybenzoate
Molecular Weight: 206.23776 g/mol
Molecular Formula: C12H14O3
Density: 1.113 g/cm3
Boiling Point: 305.4 °C at 760 mmHg
Flash Point: 124.5 °C
Index of Refraction: 1.542
Molar Refractivity: 58.33 cm3
Molar Volume: 185.1 cm3
Polarizability: 23.12×10-24 cm3
Surface Tension: 41.3 dyne/cm
Enthalpy of Vaporization: 56.76 kJ/mol
Vapour Pressure: 0.000457 mmHg at 25 °C
XLogP3: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count: 4
Exact Mass: 206.094294
MonoIsotopic Mass: 206.094294
Topological Polar Surface Area: 46.5
Heavy Atom Count: 15
Complexity: 241
Canonical SMILES: CC(=CCOC(=O)C1=CC=CC=C1O)C
InChI: InChI=1S/C12H14O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7,13H,8H2,1-2H3
InChIKey: MCAYDAOGSVHGEE-UHFFFAOYSA-N
EINECS of Prenyl salicylate (CAS NO.68555-58-8): 271-434-8
Prenyl salicylate Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (1982),821. | ||
| 2. | orl-rat LD50:3200 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),821. | ||
| 3. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),821. |
Prenyl salicylate Consensus Reports
Reported in EPA TSCA Inventory.
Prenyl salicylate Safety Profile
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Prenyl salicylate Specification
Prenyl salicylate (CAS NO.68555-58-8) is also named as 3-Methyl-2-butenyl salicylate ; Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester ; 2-Buten-1-ol, 3-methyl-, salicylate ; Benzoic acid, 2-hydroxy-, 3-methyl-2-buten-1-yl ester .
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