Basic information
- Name:
Acetic acid, 2-cyano-,2-ethylhexyl ester
- Superlist Name:
- 2-Ethylhexyl cyanoacetate
- CAS No.:
13361-34-7
- Molecular Structure:
- Formula:
- C11H19NO2
- Molecular Weight:
- 197.28
- Synonyms:
- Aceticacid, cyano-, 2-ethylhexyl ester (7CI,8CI,9CI);NSC69963;
- EINECS:
- 236-425-5
- Density:
- 0.951 g/cm3
- Boiling Point:
- 241.354 °C at 760 mmHg
- Flash Point:
- 105.396 °C
- Appearance:
- Clear colourless liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-24/25 Details
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Chemistry
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IUPAC Name: 2-Ethylhexyl 2-cyanoacetate
Canonical SMILES: CCCCC(CC)COC(=O)CC#N
InChI: InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
InChIKey: ZNYBQVBNSXLZNI-UHFFFAOYSA-N
Molecular Weight: 197.27406 [g/mol]
Molecular Formula: C11H19NO2
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Index of Refraction: 1.44
Molar Refractivity: 54.65 cm3
Molar Volume: 207.3 cm3
Surface Tension: 33.8 dyne/cm
Density: 0.951 g/cm3
Flash Point: 105.4 °C
Enthalpy of Vaporization: 47.83 kJ/mol
Boiling Point: 241.4 °C at 760 mmHg
Vapour Pressure: 0.0361 mmHg at 25 °C
Appearance of 2-Ethylhexyl cyanoacetate (CAS NO.13361-34-7): Clear colourless liquid
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany of 2-Ethylhexyl cyanoacetate (CAS NO.13361-34-7): 2
Specification
2-Ethylhexyl cyanoacetate (CAS NO.13361-34-7), its Synonyms are Acetic acid, 2-cyano-, 2-ethylhexyl ester ; Acetic acid, cyano-, 2-ethylhexyl ester ; AI3-07380 ; Cyanoacetic acid, 2-ethylhexyl ester .
