Product Name

  • Name

    PROPYL CAPRYLATE

  • EINECS 210-830-7
  • CAS No. 624-13-5
  • Article Data12
  • CAS DataBase
  • Density 0.872 g/cm3
  • Solubility
  • 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
  • Appearance COLOURLESS LIQUID
  • Safety Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 624-13-5 (PROPYL CAPRYLATE)
  • Hazard Symbols
  • Synonyms NSC 23736;Propyl caprylate; Propyl octanoate
  • PSA 26.30000
  • LogP 3.30010

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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