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CAS No.: | 624-13-5 |
---|---|
Name: | PROPYL CAPRYLATE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C11H22 O2 |
Molecular Weight: | 186.294 |
Synonyms: | NSC 23736;Propyl caprylate; Propyl octanoate |
EINECS: | 210-830-7 |
Density: | 0.872 g/cm3 |
Melting Point: | -46.2°C |
Boiling Point: | 224.7 °C at 760 mmHg |
Flash Point: | 87.9 °C |
Appearance: | COLOURLESS LIQUID |
Safety: | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 26.30000 |
LogP: | 3.30010 |
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
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. |
Reported in EPA TSCA Inventory.
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Propyl octanoate (624-13-5) also can be called Propyl caprylate and Octanoic acid, propyl ester .