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Cas Database |
| Name |
Propyl octanoate |
EINECS | 210-830-7 |
| CAS No. | 624-13-5 | Density | 0.872 g/cm3 |
| PSA | 26.30000 | LogP | 3.30010 |
| Solubility | N/A | Melting Point |
-46.2°C |
| Formula | C11H22 O2 | Boiling Point | 224.7 °C at 760 mmHg |
| Molecular Weight | 186.294 | Flash Point | 87.9 °C |
| Transport Information | N/A | Appearance | COLOURLESS LIQUID |
| Safety | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
NSC 23736;Propyl caprylate; Propyl octanoate |
Article Data | 12 |
Propyl octanoate Chemical Properties
Molecular Formula: C11H22O2
Molar mass: 186.29 g/mol
EINECS: 210-830-7
Density: 0.872 g/cm3
Flash Point: 87.9 °C
Index of Refraction: 1.426
Boiling Point: 224.7 °C at 760 mmHg
Vapour Pressure: 0.09 mmHg at 25°C
Structure of Propyl octanoate (624-13-5):
XLogP3-AA: 4
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: Propyl octanoate
SMILES: O=C(OCCC)CCCCCCC
InChI: InChI=1/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
InChIKey: IDHBLVYDNJDWNO-UHFFFAOYAB
Std. InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h3-10H2,1-2H3
Std. InChIKey: IDHBLVYDNJDWNO-UHFFFAOYSA-N
Propyl octanoate Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),403. | ||
| 2. | skn-rbt LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 26 (1988),403. |
Propyl octanoate Consensus Reports
Reported in EPA TSCA Inventory.
Propyl octanoate Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Propyl octanoate Specification
Propyl octanoate (624-13-5) also can be called Propyl caprylate and Octanoic acid, propyl ester .
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